(1-prop-2-ynylcyclohexyl)methanol

C10H16O — CID 71526913

IUPAC(1-prop-2-ynylcyclohexyl)methanol
SMILESC#CCC1(CO)CCCCC1
InChIInChI=1S/C10H16O/c1-2-6-10(9-11)7-4-3-5-8-10/h1,11H,3-9H2
InChIKeyCURUFSZMJYJVQJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.95
Rot. Bonds2

About (1-prop-2-ynylcyclohexyl)methanol

(1-prop-2-ynylcyclohexyl)methanol (PubChem CID 71526913) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1-prop-2-ynylcyclohexyl)methanol.

Molecular Properties

Compound Name(1-prop-2-ynylcyclohexyl)methanol
PubChem CID71526913
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1-prop-2-ynylcyclohexyl)methanol
SMILESC#CCC1(CO)CCCCC1
InChIInChI=1S/C10H16O/c1-2-6-10(9-11)7-4-3-5-8-10/h1,11H,3-9H2
InChIKeyCURUFSZMJYJVQJ-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

Cyclohexane-1,1-diethanol
CID 76657
(1-Methylcyclohexyl)methanol
CID 1501840
(1-Pentylcyclohexyl)methanol
CID 57316979
2-(1-(Hydroxymethyl)cyclohexyl)ethan-1-ol
CID 549157
2-(1-Methylcyclohexyl)ethanol
CID 231930
[1-(2-Methylpropyl)cyclohexyl]methanol
CID 66024992
{4-Ethynylbicyclo[2.2.2]octan-1-yl}methanol
CID 86114374
3-Ethynyloctan-1-ol
CID 12188146
(4-Prop-2-ynylcyclohexyl)methanol
CID 10796940
1-Cyclohexylbut-3-yn-1-ol
CID 10986443
(1R)-1-cyclohexylbut-3-yn-1-ol
CID 11094829
1-t-Butylcyclohexyl-carbinol
CID 12418161

Frequently Asked Questions

What is the IUPAC name of (1-prop-2-ynylcyclohexyl)methanol?
The IUPAC name of (1-prop-2-ynylcyclohexyl)methanol (CID 71526913) is (1-prop-2-ynylcyclohexyl)methanol.
What is the SMILES notation for (1-prop-2-ynylcyclohexyl)methanol?
The canonical SMILES for (1-prop-2-ynylcyclohexyl)methanol is C#CCC1(CO)CCCCC1.
What is the InChIKey of (1-prop-2-ynylcyclohexyl)methanol?
The InChIKey is CURUFSZMJYJVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-6-10(9-11)7-4-3-5-8-10/h1,11H,3-9H2.
What are the key properties of (1-prop-2-ynylcyclohexyl)methanol?
(1-prop-2-ynylcyclohexyl)methanol has a molecular weight of 152.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-ynylcyclohexyl)methanol is sourced from PubChem (CID 71526913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).