(1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol

C11H20O — CID 11062803

IUPAC(1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@@H](C)C[C@]1(C)O
InChIInChI=1S/C11H20O/c1-8(2)10-6-5-9(3)7-11(10,4)12/h9-10,12H,1,5-7H2,2-4H3/t9-,10+,11+/m1/s1
InChIKeyPNIZZRWKHIISKP-VWYCJHECSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds1

About (1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol

(1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 11062803) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID11062803
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@@H](C)C[C@]1(C)O
InChIInChI=1S/C11H20O/c1-8(2)10-6-5-9(3)7-11(10,4)12/h9-10,12H,1,5-7H2,2-4H3/t9-,10+,11+/m1/s1
InChIKeyPNIZZRWKHIISKP-VWYCJHECSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.75
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 (1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol (CID 11062803) is (1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CC[C@@H](C)C[C@]1(C)O.
What is the InChIKey of (1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is PNIZZRWKHIISKP-VWYCJHECSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)10-6-5-9(3)7-11(10,4)12/h9-10,12H,1,5-7H2,2-4H3/t9-,10+,11+/m1/s1.
What are the key properties of (1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol?
(1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 11062803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).