3-decyl-5,5-dimethylcyclohex-2-en-1-ol

C18H34O — CID 65177036

IUPAC3-decyl-5,5-dimethylcyclohex-2-en-1-ol
SMILESCCCCCCCCCCC1=CC(O)CC(C)(C)C1
InChIInChI=1S/C18H34O/c1-4-5-6-7-8-9-10-11-12-16-13-17(19)15-18(2,3)14-16/h13,17,19H,4-12,14-15H2,1-3H3
InChIKeyKIKMBGYKGOVZKM-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.62
Rot. Bonds9

About 3-decyl-5,5-dimethylcyclohex-2-en-1-ol

3-decyl-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 65177036) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-decyl-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-decyl-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID65177036
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name3-decyl-5,5-dimethylcyclohex-2-en-1-ol
SMILESCCCCCCCCCCC1=CC(O)CC(C)(C)C1
InChIInChI=1S/C18H34O/c1-4-5-6-7-8-9-10-11-12-16-13-17(19)15-18(2,3)14-16/h13,17,19H,4-12,14-15H2,1-3H3
InChIKeyKIKMBGYKGOVZKM-UHFFFAOYSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxypropyl)-5,5-dimethylcyclohex-2-en-1-ol
CID 130131017
1-butyl-3-chloro-5,5-dimethylcyclohexene
CID 65174791
5,5-dimethyl-3-(2-propan-2-ylsulfonylethyl)cyclohex-2-en-1-ol
CID 106732475
3-butylcyclopent-2-en-1-ol
CID 65174589
1-dodecylcyclopropene
CID 22621656
1-tridecylcyclopropene
CID 22621692
3-(3-ethylsulfonylpropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65177248
1-pentylcyclopropene
CID 159067584
1-hexylcyclobutene
CID 86205685
3-dodecylcyclopent-2-en-1-amine
CID 65174520
3-decylcyclopent-2-en-1-amine
CID 65174759
(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one
CID 13158022

Frequently Asked Questions

What is the IUPAC name of 3-decyl-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-decyl-5,5-dimethylcyclohex-2-en-1-ol (CID 65177036) is 3-decyl-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-decyl-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-decyl-5,5-dimethylcyclohex-2-en-1-ol is CCCCCCCCCCC1=CC(O)CC(C)(C)C1.
What is the InChIKey of 3-decyl-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is KIKMBGYKGOVZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-4-5-6-7-8-9-10-11-12-16-13-17(19)15-18(2,3)14-16/h13,17,19H,4-12,14-15H2,1-3H3.
What are the key properties of 3-decyl-5,5-dimethylcyclohex-2-en-1-ol?
3-decyl-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 266.47 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 65177036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).