2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol

C22H40O2 — CID 159922825

IUPAC2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1C(C)CCC(O)C1C.C=C(C)C1CC(C)CC(O)C1C
InChIInChI=1S/2C11H20O/c1-7(2)10-5-8(3)6-11(12)9(10)4;1-7(2)11-8(3)5-6-10(12)9(11)4/h2*8-12H,1,5-6H2,2-4H3
InChIKeyNYPZNAQBYJABCC-UHFFFAOYSA-N
MW336.56 g/mol
LogP5.21
Rot. Bonds2

About 2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol

2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 159922825) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID159922825
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1C(C)CCC(O)C1C.C=C(C)C1CC(C)CC(O)C1C
InChIInChI=1S/2C11H20O/c1-7(2)10-5-8(3)6-11(12)9(10)4;1-7(2)11-8(3)5-6-10(12)9(11)4/h2*8-12H,1,5-6H2,2-4H3
InChIKeyNYPZNAQBYJABCC-UHFFFAOYSA-N
XLogP5.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,5-trimethyl-3-prop-1-en-2-ylcyclohexane
CID 90909258
1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane
CID 91552917
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
2-[(1S,2R,5S)-2-methyl-5-prop-1-en-2-ylcyclopentyl]prop-2-enal
CID 10464893
methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 46899996
2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol
CID 71333601
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
(2S,3R)-2-methyl-3-prop-1-en-2-ylbicyclo[2.2.2]octane
CID 142078311
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
3-hydroxy-2-methylcyclopentane-1-carboxylic acid
CID 55301199

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of 2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol (CID 159922825) is 2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for 2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)C1C(C)CCC(O)C1C.C=C(C)C1CC(C)CC(O)C1C.
What is the InChIKey of 2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is NYPZNAQBYJABCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H20O/c1-7(2)10-5-8(3)6-11(12)9(10)4;1-7(2)11-8(3)5-6-10(12)9(11)4/h2*8-12H,1,5-6H2,2-4H3.
What are the key properties of 2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol?
2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 336.56 g/mol, XLogP of 5.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 159922825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).