(1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol

C10H18O — CID 5319367

IUPAC(1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol
SMILESCC(C)[C@@H]1C=C[C@@](C)(O)CC1
InChIInChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10-/m1/s1
InChIKeyIZXYHAXVIZHGJV-NXEZZACHSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds1

About (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol

(1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 5319367) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol
PubChem CID5319367
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol
SMILESCC(C)[C@@H]1C=C[C@@](C)(O)CC1
InChIInChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10-/m1/s1
InChIKeyIZXYHAXVIZHGJV-NXEZZACHSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
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,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol (CID 5319367) is (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol is CC(C)[C@@H]1C=C[C@@](C)(O)CC1.
What is the InChIKey of (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is IZXYHAXVIZHGJV-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol?
(1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 5319367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).