(4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol

C11H20O — CID 89004722

IUPAC(4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol
SMILESCCC1=CC(C)C(CO)C(C)C1
InChIInChI=1S/C11H20O/c1-4-10-5-8(2)11(7-12)9(3)6-10/h5,8-9,11-12H,4,6-7H2,1-3H3
InChIKeyQGZKPUQXJQBYQU-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.61
Rot. Bonds2

About (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol

(4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol (PubChem CID 89004722) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol
PubChem CID89004722
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol
SMILESCCC1=CC(C)C(CO)C(C)C1
InChIInChI=1S/C11H20O/c1-4-10-5-8(2)11(7-12)9(3)6-10/h5,8-9,11-12H,4,6-7H2,1-3H3
InChIKeyQGZKPUQXJQBYQU-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

1-ethyl-4-hydroperoxy-3,5-dimethylcyclohexene
CID 89076598
2-[[(1R,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl-[[(1S,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]amino]ethanol
CID 98284061
N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 98157758
N,N-dimethyl-1-[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 40543075
trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
CID 11891418
2,6-dimethyl-4-propylcyclohex-3-en-1-amine
CID 123458778
N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 7302881
N-methyl-N-[[(1R,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
CID 11898076
N-methyl-N-[[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
CID 6945433
N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide
CID 167291658
methyl (2,4,6-trimethylcyclohex-3-en-1-yl)methyl carbonate
CID 15278415
cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol
CID 162070129

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol?
The IUPAC name of (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol (CID 89004722) is (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol is CCC1=CC(C)C(CO)C(C)C1.
What is the InChIKey of (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol?
The InChIKey is QGZKPUQXJQBYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-10-5-8(2)11(7-12)9(3)6-10/h5,8-9,11-12H,4,6-7H2,1-3H3.
What are the key properties of (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol?
(4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol has a molecular weight of 168.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 89004722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).