2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol

C11H18O — CID 64755610

IUPAC2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol
SMILESC#CCC1(O)CCC(C)CC1C
InChIInChI=1S/C11H18O/c1-4-6-11(12)7-5-9(2)8-10(11)3/h1,9-10,12H,5-8H2,2-3H3
InChIKeyLLQHJBIGGHCVDC-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.20
Rot. Bonds1

About 2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol

2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol (PubChem CID 64755610) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol
PubChem CID64755610
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol
SMILESC#CCC1(O)CCC(C)CC1C
InChIInChI=1S/C11H18O/c1-4-6-11(12)7-5-9(2)8-10(11)3/h1,9-10,12H,5-8H2,2-3H3
InChIKeyLLQHJBIGGHCVDC-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxy-2,4-dimethylcyclohexyl)acetonitrile
CID 79118602
2,4-dimethyl-1-propylcyclohexan-1-ol
CID 64756023
2,4,4-trimethyl-1-prop-2-ynylcyclohexan-1-ol
CID 81314692
2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 64756673
(4-methyl-1-prop-2-ynylcyclohexyl)methanamine
CID 126977400
1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine
CID 64761739
1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol
CID 12689074
[(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol
CID 7061819
2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 65154121
1-but-3-ynyl-2-methylcyclopentan-1-ol
CID 65050041
2-cyclohexyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222330
2-phenyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222408

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol?
The IUPAC name of 2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol (CID 64755610) is 2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol.
What is the SMILES notation for 2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol?
The canonical SMILES for 2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol is C#CCC1(O)CCC(C)CC1C.
What is the InChIKey of 2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol?
The InChIKey is LLQHJBIGGHCVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-6-11(12)7-5-9(2)8-10(11)3/h1,9-10,12H,5-8H2,2-3H3.
What are the key properties of 2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol?
2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol is sourced from PubChem (CID 64755610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).