2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one

C62H104O4 — CID 161413207

IUPAC2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one
SMILESCC(C)=CCC/C(C)=C/CC1CCCC1=O.CC(C)=CCC/C(C)=C/CC1CCCC1O.CC/C(C)=C/CC/C(C)=C/CC1CCCC1=O.CC/C(C)=C/CC/C(C)=C/CC1CCCC1O
InChIInChI=1S/C16H28O.C16H26O.C15H26O.C15H24O/c2*1-4-13(2)7-5-8-14(3)11-12-15-9-6-10-16(15)17;2*1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h7,11,15-17H,4-6,8-10,12H2,1-3H3;7,11,15H,4-6,8-10,12H2,1-3H3;6,10,14-16H,4-5,7-9,11H2,1-3H3;6,10,14H,4-5,7-9,11H2,1-3H3/b2*13-7+,14-11+;2*13-10+
InChIKeyVVTAMXWUNQSDQT-LDIGMRPLSA-N
MW913.51 g/mol
LogP18.12
Rot. Bonds22

About 2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one

2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one (PubChem CID 161413207) has the molecular formula C62H104O4 and a molecular weight of 913.51 g/mol. Its IUPAC name is 2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one
PubChem CID161413207
Molecular FormulaC62H104O4
Molecular Weight913.51 g/mol
Exact Mass912.79
IUPAC Name2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one
SMILESCC(C)=CCC/C(C)=C/CC1CCCC1=O.CC(C)=CCC/C(C)=C/CC1CCCC1O.CC/C(C)=C/CC/C(C)=C/CC1CCCC1=O.CC/C(C)=C/CC/C(C)=C/CC1CCCC1O
InChIInChI=1S/C16H28O.C16H26O.C15H26O.C15H24O/c2*1-4-13(2)7-5-8-14(3)11-12-15-9-6-10-16(15)17;2*1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h7,11,15-17H,4-6,8-10,12H2,1-3H3;7,11,15H,4-6,8-10,12H2,1-3H3;6,10,14-16H,4-5,7-9,11H2,1-3H3;6,10,14H,4-5,7-9,11H2,1-3H3/b2*13-7+,14-11+;2*13-10+
InChIKeyVVTAMXWUNQSDQT-LDIGMRPLSA-N
XLogP18.12
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.51
LogP ≤ 518.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one
CID 12619393
2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one
CID 11095228
2-(3,7-dimethylocta-2,6-dienyl)cyclohexane-1,3-dione
CID 70579950
2-(3,7-dimethylnona-2,6-dienyl)cyclopentane-1,3-dione
CID 141279225
N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate
CID 157157632
6-heptyloxan-2-one;3-methyl-5-pentylcyclohex-2-en-1-ol;5-octyloxolan-2-one;3-(2-oxopropyl)-2-pentylcyclopentan-1-one;2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentan-1-one
CID 158563103
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone
CID 161425936
2-chloro-6-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-one
CID 118674631
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
2-[(E)-but-2-enyl]cyclopentan-1-one
CID 14959733
(4aS)-6-(4-methylpent-3-enyl)-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one
CID 118312408

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one?
The IUPAC name of 2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one (CID 161413207) is 2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one?
The canonical SMILES for 2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one is CC(C)=CCC/C(C)=C/CC1CCCC1=O.CC(C)=CCC/C(C)=C/CC1CCCC1O.CC/C(C)=C/CC/C(C)=C/CC1CCCC1=O.CC/C(C)=C/CC/C(C)=C/CC1CCCC1O.
What is the InChIKey of 2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one?
The InChIKey is VVTAMXWUNQSDQT-LDIGMRPLSA-N. The full InChI is InChI=1S/C16H28O.C16H26O.C15H26O.C15H24O/c2*1-4-13(2)7-5-8-14(3)11-12-15-9-6-10-16(15)17;2*1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h7,11,15-17H,4-6,8-10,12H2,1-3H3;7,11,15H,4-6,8-10,12H2,1-3H3;6,10,14-16H,4-5,7-9,11H2,1-3H3;6,10,14H,4-5,7-9,11H2,1-3H3/b2*13-7+,14-11+;2*13-10+.
What are the key properties of 2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one?
2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one has a molecular weight of 913.51 g/mol, XLogP of 18.12, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one is sourced from PubChem (CID 161413207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).