2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol

C15H26O — CID 128964459

IUPAC2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol
SMILESC/C1=C\CCC(C)/C=C/C(C(C)(C)O)CC1
InChIInChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,11,13-14,16H,5,7-8,10H2,1-4H3/b11-9+,12-6+
InChIKeyZVZPKUXZGROCDB-WIPAEPSYSA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds1

About 2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol

2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol (PubChem CID 128964459) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol
PubChem CID128964459
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol
SMILESC/C1=C\CCC(C)/C=C/C(C(C)(C)O)CC1
InChIInChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,11,13-14,16H,5,7-8,10H2,1-4H3/b11-9+,12-6+
InChIKeyZVZPKUXZGROCDB-WIPAEPSYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol with MolForge

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Related Compounds

(1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol
CID 139591588
(1S,3aR,4E,6R,9E,12aR)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydrocyclopenta[11]annulen-1-ol
CID 23427729
2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
CID 101418223
2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
CID 6443020
5-methylcyclooct-5-ene-1,2-diol
CID 68741308
(1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene
CID 23092808
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 23186359
ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 145316988
(1Z,4Z)-1,6-dimethylcycloocta-1,4-diene
CID 156675048
(1S,3R,4E,8E,12S,13E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
CID 66852026
(1R,3aR,4E,6R,9E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulene
CID 51040259
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
CID 142414461

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol?
The IUPAC name of 2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol (CID 128964459) is 2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol.
What is the SMILES notation for 2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol?
The canonical SMILES for 2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol is C/C1=C\CCC(C)/C=C/C(C(C)(C)O)CC1.
What is the InChIKey of 2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol?
The InChIKey is ZVZPKUXZGROCDB-WIPAEPSYSA-N. The full InChI is InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,11,13-14,16H,5,7-8,10H2,1-4H3/b11-9+,12-6+.
What are the key properties of 2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol?
2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol has a molecular weight of 222.37 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol is sourced from PubChem (CID 128964459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).