(1-but-3-ynylcyclohexyl)methanol

C11H18O — CID 130129923

IUPAC(1-but-3-ynylcyclohexyl)methanol
SMILESC#CCCC1(CO)CCCCC1
InChIInChI=1S/C11H18O/c1-2-3-7-11(10-12)8-5-4-6-9-11/h1,12H,3-10H2
InChIKeyFALHUTGEFJYCDA-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.34
Rot. Bonds3

About (1-but-3-ynylcyclohexyl)methanol

(1-but-3-ynylcyclohexyl)methanol (PubChem CID 130129923) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1-but-3-ynylcyclohexyl)methanol.

Molecular Properties

Compound Name(1-but-3-ynylcyclohexyl)methanol
PubChem CID130129923
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1-but-3-ynylcyclohexyl)methanol
SMILESC#CCCC1(CO)CCCCC1
InChIInChI=1S/C11H18O/c1-2-3-7-11(10-12)8-5-4-6-9-11/h1,12H,3-10H2
InChIKeyFALHUTGEFJYCDA-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (1-but-3-ynylcyclohexyl)methanol?
The IUPAC name of (1-but-3-ynylcyclohexyl)methanol (CID 130129923) is (1-but-3-ynylcyclohexyl)methanol.
What is the SMILES notation for (1-but-3-ynylcyclohexyl)methanol?
The canonical SMILES for (1-but-3-ynylcyclohexyl)methanol is C#CCCC1(CO)CCCCC1.
What is the InChIKey of (1-but-3-ynylcyclohexyl)methanol?
The InChIKey is FALHUTGEFJYCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-7-11(10-12)8-5-4-6-9-11/h1,12H,3-10H2.
What are the key properties of (1-but-3-ynylcyclohexyl)methanol?
(1-but-3-ynylcyclohexyl)methanol has a molecular weight of 166.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-ynylcyclohexyl)methanol is sourced from PubChem (CID 130129923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).