1-ethynyl-4,4-dimethylcyclohexan-1-ol

C10H16O — CID 20569400

IUPAC1-ethynyl-4,4-dimethylcyclohexan-1-ol
SMILESC#CC1(O)CCC(C)(C)CC1
InChIInChI=1S/C10H16O/c1-4-10(11)7-5-9(2,3)6-8-10/h1,11H,5-8H2,2-3H3
InChIKeyWEVKMRXSVLVRQC-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.95
Rot. Bonds

About 1-ethynyl-4,4-dimethylcyclohexan-1-ol

1-ethynyl-4,4-dimethylcyclohexan-1-ol (PubChem CID 20569400) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-ethynyl-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-ethynyl-4,4-dimethylcyclohexan-1-ol
PubChem CID20569400
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-ethynyl-4,4-dimethylcyclohexan-1-ol
SMILESC#CC1(O)CCC(C)(C)CC1
InChIInChI=1S/C10H16O/c1-4-10(11)7-5-9(2,3)6-8-10/h1,11H,5-8H2,2-3H3
InChIKeyWEVKMRXSVLVRQC-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.95
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-ethynyl-4,4-difluorocyclohexan-1-ol
CID 125480698
1-ethynylcyclohexane-1,4-diol
CID 45079337
1-ethynylcyclohexan-1-ol;platinum(2+)
CID 23175181
4-ethynylpiperidin-4-ol
CID 19895580
4,4-dimethylcyclohexane-1,1-diol
CID 139914363
(1S)-1-ethynyl-3-methylcyclohexan-1-ol
CID 134930490
4-ethynyl-1-propylpiperidin-4-ol
CID 64915760
1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol
CID 18364504
(3R,5S,8R,9S,10S,13R,14R,17R)-3-ethynyl-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 11867679
2-ethynyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
CID 175858950
cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol
CID 134856059
4-ethynyl-2-methylpiperidin-4-ol
CID 45079343

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-ethynyl-4,4-dimethylcyclohexan-1-ol (CID 20569400) is 1-ethynyl-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-ethynyl-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-ethynyl-4,4-dimethylcyclohexan-1-ol is C#CC1(O)CCC(C)(C)CC1.
What is the InChIKey of 1-ethynyl-4,4-dimethylcyclohexan-1-ol?
The InChIKey is WEVKMRXSVLVRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-10(11)7-5-9(2,3)6-8-10/h1,11H,5-8H2,2-3H3.
What are the key properties of 1-ethynyl-4,4-dimethylcyclohexan-1-ol?
1-ethynyl-4,4-dimethylcyclohexan-1-ol has a molecular weight of 152.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 20569400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).