4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol

C13H24O — CID 163367272

IUPAC4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol
SMILESC=C1CCCC(C)(C)[C@H]1CCC(C)O
InChIInChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11-12,14H,1,5-9H2,2-4H3/t11?,12-/m0/s1
InChIKeyXYSOCYCFJHMQON-KIYNQFGBSA-N
MW196.33 g/mol
LogP3.53
Rot. Bonds3

About 4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol

4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol (PubChem CID 163367272) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol.

Molecular Properties

Compound Name4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol
PubChem CID163367272
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol
SMILESC=C1CCCC(C)(C)[C@H]1CCC(C)O
InChIInChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11-12,14H,1,5-9H2,2-4H3/t11?,12-/m0/s1
InChIKeyXYSOCYCFJHMQON-KIYNQFGBSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol?
The IUPAC name of 4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol (CID 163367272) is 4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol.
What is the SMILES notation for 4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol?
The canonical SMILES for 4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol is C=C1CCCC(C)(C)[C@H]1CCC(C)O.
What is the InChIKey of 4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol?
The InChIKey is XYSOCYCFJHMQON-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11-12,14H,1,5-9H2,2-4H3/t11?,12-/m0/s1.
What are the key properties of 4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol?
4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol has a molecular weight of 196.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol is sourced from PubChem (CID 163367272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).