1-methoxy-1-prop-1-ynylcyclohexane

C10H16O — CID 12697152

IUPAC1-methoxy-1-prop-1-ynylcyclohexane
SMILESCC#CC1(OC)CCCCC1
InChIInChI=1S/C10H16O/c1-3-7-10(11-2)8-5-4-6-9-10/h4-6,8-9H2,1-2H3
InChIKeyMXKGPRGZVHFPMN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.36
Rot. Bonds1

About 1-methoxy-1-prop-1-ynylcyclohexane

1-methoxy-1-prop-1-ynylcyclohexane (PubChem CID 12697152) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methoxy-1-prop-1-ynylcyclohexane.

Molecular Properties

Compound Name1-methoxy-1-prop-1-ynylcyclohexane
PubChem CID12697152
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-methoxy-1-prop-1-ynylcyclohexane
SMILESCC#CC1(OC)CCCCC1
InChIInChI=1S/C10H16O/c1-3-7-10(11-2)8-5-4-6-9-10/h4-6,8-9H2,1-2H3
InChIKeyMXKGPRGZVHFPMN-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.36
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-ynylcyclohexane?
The IUPAC name of 1-methoxy-1-prop-1-ynylcyclohexane (CID 12697152) is 1-methoxy-1-prop-1-ynylcyclohexane.
What is the SMILES notation for 1-methoxy-1-prop-1-ynylcyclohexane?
The canonical SMILES for 1-methoxy-1-prop-1-ynylcyclohexane is CC#CC1(OC)CCCCC1.
What is the InChIKey of 1-methoxy-1-prop-1-ynylcyclohexane?
The InChIKey is MXKGPRGZVHFPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-7-10(11-2)8-5-4-6-9-10/h4-6,8-9H2,1-2H3.
What are the key properties of 1-methoxy-1-prop-1-ynylcyclohexane?
1-methoxy-1-prop-1-ynylcyclohexane has a molecular weight of 152.24 g/mol, XLogP of 2.36, 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-ynylcyclohexane is sourced from PubChem (CID 12697152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).