[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol

C10H18O — CID 10920730

IUPAC[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol
SMILESCC1=CCCC(C)(C)[C@@H]1CO
InChIInChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,9,11H,4,6-7H2,1-3H3/t9-/m1/s1
InChIKeyWFBRXMMODZGJPF-SECBINFHSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds1

About [(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol

[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol (PubChem CID 10920730) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is [(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol
PubChem CID10920730
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol
SMILESCC1=CCCC(C)(C)[C@@H]1CO
InChIInChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,9,11H,4,6-7H2,1-3H3/t9-/m1/s1
InChIKeyWFBRXMMODZGJPF-SECBINFHSA-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)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol (CID 10920730) is [(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol is CC1=CCCC(C)(C)[C@@H]1CO.
What is the InChIKey of [(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol?
The InChIKey is WFBRXMMODZGJPF-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,9,11H,4,6-7H2,1-3H3/t9-/m1/s1.
What are the key properties of [(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol?
[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol 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)-2,6,6-trimethylcyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 10920730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).