cyclopentyl(prop-2-enoxy)methanol

C9H16O2 — CID 163201000

IUPACcyclopentyl(prop-2-enoxy)methanol
SMILESC=CCOC(O)C1CCCC1
InChIInChI=1S/C9H16O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,8-10H,1,3-7H2
InChIKeyGHXNASXLLBRORE-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.70
Rot. Bonds4

About cyclopentyl(prop-2-enoxy)methanol

cyclopentyl(prop-2-enoxy)methanol (PubChem CID 163201000) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is cyclopentyl(prop-2-enoxy)methanol.

Molecular Properties

Compound Namecyclopentyl(prop-2-enoxy)methanol
PubChem CID163201000
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namecyclopentyl(prop-2-enoxy)methanol
SMILESC=CCOC(O)C1CCCC1
InChIInChI=1S/C9H16O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,8-10H,1,3-7H2
InChIKeyGHXNASXLLBRORE-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl(prop-2-enoxy)methanol?
The IUPAC name of cyclopentyl(prop-2-enoxy)methanol (CID 163201000) is cyclopentyl(prop-2-enoxy)methanol.
What is the SMILES notation for cyclopentyl(prop-2-enoxy)methanol?
The canonical SMILES for cyclopentyl(prop-2-enoxy)methanol is C=CCOC(O)C1CCCC1.
What is the InChIKey of cyclopentyl(prop-2-enoxy)methanol?
The InChIKey is GHXNASXLLBRORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,8-10H,1,3-7H2.
What are the key properties of cyclopentyl(prop-2-enoxy)methanol?
cyclopentyl(prop-2-enoxy)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(prop-2-enoxy)methanol is sourced from PubChem (CID 163201000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).