(4-prop-2-ynoxycyclohexyl)methanol

C10H16O2 — CID 86811664

IUPAC(4-prop-2-ynoxycyclohexyl)methanol
SMILESC#CCOC1CCC(CO)CC1
InChIInChI=1S/C10H16O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h1,9-11H,3-8H2
InChIKeyJFJNULVYUNJHIH-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.19
Rot. Bonds3

About (4-prop-2-ynoxycyclohexyl)methanol

(4-prop-2-ynoxycyclohexyl)methanol (PubChem CID 86811664) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4-prop-2-ynoxycyclohexyl)methanol.

Molecular Properties

Compound Name(4-prop-2-ynoxycyclohexyl)methanol
PubChem CID86811664
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4-prop-2-ynoxycyclohexyl)methanol
SMILESC#CCOC1CCC(CO)CC1
InChIInChI=1S/C10H16O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h1,9-11H,3-8H2
InChIKeyJFJNULVYUNJHIH-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4-prop-2-ynoxycyclohexyl)methanol?
The IUPAC name of (4-prop-2-ynoxycyclohexyl)methanol (CID 86811664) is (4-prop-2-ynoxycyclohexyl)methanol.
What is the SMILES notation for (4-prop-2-ynoxycyclohexyl)methanol?
The canonical SMILES for (4-prop-2-ynoxycyclohexyl)methanol is C#CCOC1CCC(CO)CC1.
What is the InChIKey of (4-prop-2-ynoxycyclohexyl)methanol?
The InChIKey is JFJNULVYUNJHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h1,9-11H,3-8H2.
What are the key properties of (4-prop-2-ynoxycyclohexyl)methanol?
(4-prop-2-ynoxycyclohexyl)methanol has a molecular weight of 168.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-ynoxycyclohexyl)methanol is sourced from PubChem (CID 86811664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).