[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol

C11H20O — CID 14432938

IUPAC[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol
SMILESCC1=CC[C@@H](C)C(C)(C)[C@@H]1CO
InChIInChI=1S/C11H20O/c1-8-5-6-9(2)11(3,4)10(8)7-12/h5,9-10,12H,6-7H2,1-4H3/t9-,10-/m1/s1
InChIKeyPKBSWHCLRBAHEE-NXEZZACHSA-N
MW168.28 g/mol
LogP2.61
Rot. Bonds1

About [(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol

[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol (PubChem CID 14432938) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is [(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol
PubChem CID14432938
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol
SMILESCC1=CC[C@@H](C)C(C)(C)[C@@H]1CO
InChIInChI=1S/C11H20O/c1-8-5-6-9(2)11(3,4)10(8)7-12/h5,9-10,12H,6-7H2,1-4H3/t9-,10-/m1/s1
InChIKeyPKBSWHCLRBAHEE-NXEZZACHSA-N
XLogP2.61
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 ≤ 52.61
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 [(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol (CID 14432938) is [(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol is CC1=CC[C@@H](C)C(C)(C)[C@@H]1CO.
What is the InChIKey of [(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol?
The InChIKey is PKBSWHCLRBAHEE-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20O/c1-8-5-6-9(2)11(3,4)10(8)7-12/h5,9-10,12H,6-7H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of [(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol?
[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol has a molecular weight of 168.28 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 14432938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).