1-methoxy-1-prop-1-ynylcyclopentane

C9H14O — CID 12697151

IUPAC1-methoxy-1-prop-1-ynylcyclopentane
SMILESCC#CC1(OC)CCCC1
InChIInChI=1S/C9H14O/c1-3-6-9(10-2)7-4-5-8-9/h4-5,7-8H2,1-2H3
InChIKeyHVXYAPODBFTWGW-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.97
Rot. Bonds1

About 1-methoxy-1-prop-1-ynylcyclopentane

1-methoxy-1-prop-1-ynylcyclopentane (PubChem CID 12697151) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-methoxy-1-prop-1-ynylcyclopentane.

Molecular Properties

Compound Name1-methoxy-1-prop-1-ynylcyclopentane
PubChem CID12697151
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-methoxy-1-prop-1-ynylcyclopentane
SMILESCC#CC1(OC)CCCC1
InChIInChI=1S/C9H14O/c1-3-6-9(10-2)7-4-5-8-9/h4-5,7-8H2,1-2H3
InChIKeyHVXYAPODBFTWGW-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
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-methoxy-1-prop-1-ynylcyclopentane?
The IUPAC name of 1-methoxy-1-prop-1-ynylcyclopentane (CID 12697151) is 1-methoxy-1-prop-1-ynylcyclopentane.
What is the SMILES notation for 1-methoxy-1-prop-1-ynylcyclopentane?
The canonical SMILES for 1-methoxy-1-prop-1-ynylcyclopentane is CC#CC1(OC)CCCC1.
What is the InChIKey of 1-methoxy-1-prop-1-ynylcyclopentane?
The InChIKey is HVXYAPODBFTWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-6-9(10-2)7-4-5-8-9/h4-5,7-8H2,1-2H3.
What are the key properties of 1-methoxy-1-prop-1-ynylcyclopentane?
1-methoxy-1-prop-1-ynylcyclopentane has a molecular weight of 138.21 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-prop-1-ynylcyclopentane is sourced from PubChem (CID 12697151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).