cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol

C14H26O — CID 132523465

IUPACcis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
SMILESC=C(C)CC[C@H]1C(C)(C)CCC[C@]1(C)O
InChIInChI=1S/C14H26O/c1-11(2)7-8-12-13(3,4)9-6-10-14(12,5)15/h12,15H,1,6-10H2,2-5H3/t12-,14-/m0/s1
InChIKeyPGUMHXQCFQUEJQ-JSGCOSHPSA-N
MW210.36 g/mol
LogP3.92
Rot. Bonds3

About cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol

cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol (PubChem CID 132523465) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
PubChem CID132523465
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Namecis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
SMILESC=C(C)CC[C@H]1C(C)(C)CCC[C@]1(C)O
InChIInChI=1S/C14H26O/c1-11(2)7-8-12-13(3,4)9-6-10-14(12,5)15/h12,15H,1,6-10H2,2-5H3/t12-,14-/m0/s1
InChIKeyPGUMHXQCFQUEJQ-JSGCOSHPSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.92
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

trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
CID 178196709
cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol
CID 101364468
(1S)-1-[5-hydroxy-5-[4-(2-hydroxy-2,6,6-trimethylcyclohexyl)but-1-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol
CID 162816892
(2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid
CID 11053833
(2S,4aR,8aR)-2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 91747195
(2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol
CID 5387251
(1R,8aS)-2,5,5,8a-tetramethyl-1-[(Z)-3-methylpent-3-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 118288330
(1S,2S,4aR,8aR)-1-[(Z)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 38346537
1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopentane
CID 123815942
(1R,2R,4aS,8aS)-1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 11107904
(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-propyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 134335088
1-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propan-2-one
CID 11832362

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol (CID 132523465) is cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol is C=C(C)CC[C@H]1C(C)(C)CCC[C@]1(C)O.
What is the InChIKey of cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol?
The InChIKey is PGUMHXQCFQUEJQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H26O/c1-11(2)7-8-12-13(3,4)9-6-10-14(12,5)15/h12,15H,1,6-10H2,2-5H3/t12-,14-/m0/s1.
What are the key properties of cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol?
cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol is sourced from PubChem (CID 132523465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).