2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol

C15H28O2 — CID 54545541

IUPAC2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol
SMILESCCCC(O)C=CC1C(C)(C)CCCC1(C)O
InChIInChI=1S/C15H28O2/c1-5-7-12(16)8-9-13-14(2,3)10-6-11-15(13,4)17/h8-9,12-13,16-17H,5-7,10-11H2,1-4H3
InChIKeyZGHHRYZEVKEXRM-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.28
Rot. Bonds4

About 2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol

2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol (PubChem CID 54545541) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol
PubChem CID54545541
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol
SMILESCCCC(O)C=CC1C(C)(C)CCCC1(C)O
InChIInChI=1S/C15H28O2/c1-5-7-12(16)8-9-13-14(2,3)10-6-11-15(13,4)17/h8-9,12-13,16-17H,5-7,10-11H2,1-4H3
InChIKeyZGHHRYZEVKEXRM-UHFFFAOYSA-N
XLogP3.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[(1R,6R)-2,2,6-trimethylcyclohexyl]hex-1-en-3-ol
CID 100994449
5-(3-hydroxypent-1-enyl)-1,4,4-trimethylcyclopentane-1,3-diol
CID 54085019
(4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol
CID 170250028
2-[(1S,3S)-1-hydroxy-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclohexyl]acetic acid
CID 101014594
2-[(1S,3R)-1-hydroxy-3-[(E,3R)-3-hydroxyundec-1-enyl]cyclohexyl]acetic acid
CID 101014583
2-[(1S,3S)-1-hydroxy-3-[(E,3S)-3-hydroxyundec-1-enyl]cyclohexyl]acetic acid
CID 101014577
2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]cyclohexyl]acetate
CID 172675778
cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol
CID 101364468
1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol
CID 57000384
4-[(1R,3S)-1-hydroxy-3-(3-hydroxyoct-1-enyl)cyclohexyl]butanoic acid
CID 57003370
4-[(1S,3R)-1-hydroxy-3-(3-hydroxyoct-1-enyl)cyclohexyl]butanoic acid
CID 57176099
2-[(1S,3S)-1-hydroxy-3-[(E)-3-hydroxyundec-1-enyl]cyclohexyl]acetate
CID 91931210

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol?
The IUPAC name of 2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol (CID 54545541) is 2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol?
The canonical SMILES for 2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol is CCCC(O)C=CC1C(C)(C)CCCC1(C)O.
What is the InChIKey of 2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol?
The InChIKey is ZGHHRYZEVKEXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-7-12(16)8-9-13-14(2,3)10-6-11-15(13,4)17/h8-9,12-13,16-17H,5-7,10-11H2,1-4H3.
What are the key properties of 2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol?
2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyhex-1-enyl)-1,3,3-trimethylcyclohexan-1-ol is sourced from PubChem (CID 54545541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).