(Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol

C13H24O — CID 70601692

IUPAC(Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol
SMILESC/C=C\C(O)C1C(C)CCCC1(C)C
InChIInChI=1S/C13H24O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7,10-12,14H,6,8-9H2,1-4H3/b7-5-
InChIKeySHEPIHCKFYQTTF-ALCCZGGFSA-N
MW196.33 g/mol
LogP3.39
Rot. Bonds2

About (Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol

(Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol (PubChem CID 70601692) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol
PubChem CID70601692
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol
SMILESC/C=C\C(O)C1C(C)CCCC1(C)C
InChIInChI=1S/C13H24O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7,10-12,14H,6,8-9H2,1-4H3/b7-5-
InChIKeySHEPIHCKFYQTTF-ALCCZGGFSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.39
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

2-[(2S)-butan-2-yl]-1,1,3-trimethylcyclohexane
CID 163963914
1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol
CID 57000384
(4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol
CID 71117110
(R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol
CID 71117323
(3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol
CID 71117377
(E)-1-[(1R,6R)-2,2,6-trimethylcyclohexyl]hex-1-en-3-ol
CID 100994449
1-[(1S,6S)-2,2,6-trimethylcyclohexyl]but-2-en-1-one
CID 69302793
(E)-1-[(6R)-2,2,6-trimethylcyclohexyl]but-2-en-1-one
CID 59112891
cis-(2S,3R)-2-[(E)-but-2-enyl]-1,1,3-trimethylcyclohexane
CID 173431731
(1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol
CID 71582376
(1R)-2-(3-fluorophenyl)-1-[(1R,6S)-2,2,6-trimethylcyclohexyl]ethanol
CID 71116930
(E,2R)-2-[[(1R,2S)-2-methylcyclohexyl]methyl]pent-3-enoic acid
CID 143057505

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol?
The IUPAC name of (Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol (CID 70601692) is (Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol.
What is the SMILES notation for (Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol?
The canonical SMILES for (Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol is C/C=C\C(O)C1C(C)CCCC1(C)C.
What is the InChIKey of (Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol?
The InChIKey is SHEPIHCKFYQTTF-ALCCZGGFSA-N. The full InChI is InChI=1S/C13H24O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7,10-12,14H,6,8-9H2,1-4H3/b7-5-.
What are the key properties of (Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol?
(Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol is sourced from PubChem (CID 70601692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).