1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol

C17H30O — CID 70586341

IUPAC1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol
SMILESCC1=C(C)C(C)(O)CCC=CCCCCCCC1
InChIInChI=1S/C17H30O/c1-15-13-11-9-7-5-4-6-8-10-12-14-17(3,18)16(15)2/h8,10,18H,4-7,9,11-14H2,1-3H3
InChIKeyQGCNLKMOJIHQEM-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.15
Rot. Bonds

About 1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol

1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol (PubChem CID 70586341) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol.

Molecular Properties

Compound Name1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol
PubChem CID70586341
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol
SMILESCC1=C(C)C(C)(O)CCC=CCCCCCCC1
InChIInChI=1S/C17H30O/c1-15-13-11-9-7-5-4-6-8-10-12-14-17(3,18)16(15)2/h8,10,18H,4-7,9,11-14H2,1-3H3
InChIKeyQGCNLKMOJIHQEM-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 78023283
tris(cyclodecane-1,1-dicarboxylic acid);cyclodecene;(1Z)-1-methylcyclodecene
CID 173429173
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
(1E)-cyclooctadeca-1,8-diene
CID 173129359
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
cyclopentadecene
CID 5463009
cyclopentadeca-1,7-diene
CID 154173092
(1Z,9E)-cyclooctadeca-1,9-diene
CID 143896650
(7Z)-cyclohexadeca-1,7-diene
CID 173129118
(8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene
CID 163043079
1-(cyclohexen-1-yloxy)cyclohex-2-en-1-ol
CID 67717410
3-tert-butyl-1,2,3-trimethylcyclohexene;ethane
CID 145450127

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol?
The IUPAC name of 1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol (CID 70586341) is 1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol.
What is the SMILES notation for 1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol?
The canonical SMILES for 1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol is CC1=C(C)C(C)(O)CCC=CCCCCCCC1.
What is the InChIKey of 1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol?
The InChIKey is QGCNLKMOJIHQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-15-13-11-9-7-5-4-6-8-10-12-14-17(3,18)16(15)2/h8,10,18H,4-7,9,11-14H2,1-3H3.
What are the key properties of 1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol?
1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol has a molecular weight of 250.43 g/mol, XLogP of 5.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylcyclotetradeca-2,11-dien-1-ol is sourced from PubChem (CID 70586341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).