2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol

C15H26O — CID 101418223

IUPAC2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
SMILESC/C1=C/CC/C(C)=C/CC(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/h6,9,14,16H,5,7-8,10-11H2,1-4H3/b12-6-,13-9+
InChIKeySDMLCXJKAYFHQM-HEBGLXOYSA-N
MW222.37 g/mol
LogP4.23
Rot. Bonds1

About 2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol

2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol (PubChem CID 101418223) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
PubChem CID101418223
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
SMILESC/C1=C/CC/C(C)=C/CC(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/h6,9,14,16H,5,7-8,10-11H2,1-4H3/b12-6-,13-9+
InChIKeySDMLCXJKAYFHQM-HEBGLXOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol with MolForge

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Related Compounds

2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
CID 6443020
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
2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol
CID 175869435
(4Z,8R,10E)-8-(2-hydroxypropan-2-yl)-5,11-dimethylcyclotetradeca-4,10-diene-1-carboxylic acid
CID 23728900
2-[(4E,10Z)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl]propan-2-ol
CID 177464486
2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol
CID 71438233
(3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol
CID 171119848
4-tert-butyl-1-methylcyclohexene;ethane
CID 143859971
2-methyl-6-[2-(4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl)propan-2-yloxy]oxane-3,4,5-triol
CID 163072754
4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol
CID 14610889
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol?
The IUPAC name of 2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol (CID 101418223) is 2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol.
What is the SMILES notation for 2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol?
The canonical SMILES for 2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol is C/C1=C/CC/C(C)=C/CC(C(C)(C)O)CC1.
What is the InChIKey of 2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol?
The InChIKey is SDMLCXJKAYFHQM-HEBGLXOYSA-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/h6,9,14,16H,5,7-8,10-11H2,1-4H3/b12-6-,13-9+.
What are the key properties of 2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol?
2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol has a molecular weight of 222.37 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol is sourced from PubChem (CID 101418223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).