3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol

C11H18O — CID 126977533

IUPAC3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol
SMILESCC#CC1(O)CCCC(C)(C)C1
InChIInChI=1S/C11H18O/c1-4-6-11(12)8-5-7-10(2,3)9-11/h12H,5,7-9H2,1-3H3
InChIKeyLNLIOXYYFHRCFJ-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.34
Rot. Bonds

About 3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol

3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol (PubChem CID 126977533) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol
PubChem CID126977533
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol
SMILESCC#CC1(O)CCCC(C)(C)C1
InChIInChI=1S/C11H18O/c1-4-6-11(12)8-5-7-10(2,3)9-11/h12H,5,7-9H2,1-3H3
InChIKeyLNLIOXYYFHRCFJ-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.34
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

1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol
CID 46835727
2-(1-hydroxy-3,3-dimethylcyclohexyl)propanenitrile
CID 79132289
1-(3,3-dimethylbut-1-ynyl)cyclobutan-1-ol;2-(3,3-dimethylbut-1-ynyl)spiro[3.3]heptan-2-ol
CID 158679716
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
magnesium;cyclohexanone;prop-1-yne;1-prop-1-ynylcyclohexan-1-ol;bromide
CID 158000769
ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 143931271
3,3-dimethyl-1-pentylcyclohexan-1-ol
CID 65148962
3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
CID 65149018
2-methyl-4-prop-1-ynyloxan-4-ol
CID 126977531
1-decyl-3,3-dimethylcyclohexan-1-ol
CID 65149393
2-fluoro-2-(1-hydroxy-3,3-dimethylcyclohexyl)acetic acid
CID 79366352
1,1-dimethylcyclobutane;vanadium
CID 158712416

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol?
The IUPAC name of 3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol (CID 126977533) is 3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol is CC#CC1(O)CCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol?
The InChIKey is LNLIOXYYFHRCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-6-11(12)8-5-7-10(2,3)9-11/h12H,5,7-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol?
3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-prop-1-ynylcyclohexan-1-ol is sourced from PubChem (CID 126977533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).