methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene

C16H28 — CID 142802969

IUPACmethane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene
SMILESC.C/C=C\C(C)/C=C(/C)C1=C(C)CCCC1
InChIInChI=1S/C15H24.CH4/c1-5-8-12(2)11-14(4)15-10-7-6-9-13(15)3;/h5,8,11-12H,6-7,9-10H2,1-4H3;1H4/b8-5-,14-11-;
InChIKeyOZWBQWIQBQYAQQ-KAQJYSJWSA-N
MW220.40 g/mol
LogP5.67
Rot. Bonds3

About methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene

methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene (PubChem CID 142802969) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene.

Molecular Properties

Compound Namemethane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene
PubChem CID142802969
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Namemethane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene
SMILESC.C/C=C\C(C)/C=C(/C)C1=C(C)CCCC1
InChIInChI=1S/C15H24.CH4/c1-5-8-12(2)11-14(4)15-10-7-6-9-13(15)3;/h5,8,11-12H,6-7,9-10H2,1-4H3;1H4/b8-5-,14-11-;
InChIKeyOZWBQWIQBQYAQQ-KAQJYSJWSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 17497
CID 17497
CID 102443
CID 102443
CID 6443227
CID 6443227
CID 176983
CID 176983
CID 524200
CID 524200
CID 121232770
CID 121232770
CID 139915
CID 139915
CID 5365771
CID 5365771
CID 6440707
CID 6440707
CID 14753114
CID 14753114
CID 13941492
CID 13941492
CID 107833
CID 107833

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene?
The IUPAC name of methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene (CID 142802969) is methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene.
What is the SMILES notation for methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene?
The canonical SMILES for methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene is C.C/C=C\C(C)/C=C(/C)C1=C(C)CCCC1.
What is the InChIKey of methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene?
The InChIKey is OZWBQWIQBQYAQQ-KAQJYSJWSA-N. The full InChI is InChI=1S/C15H24.CH4/c1-5-8-12(2)11-14(4)15-10-7-6-9-13(15)3;/h5,8,11-12H,6-7,9-10H2,1-4H3;1H4/b8-5-,14-11-;.
What are the key properties of methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene?
methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene has a molecular weight of 220.40 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene is sourced from PubChem (CID 142802969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).