3-methylpent-1-ynoxymethylcyclohexane

C13H22O — CID 14970147

IUPAC3-methylpent-1-ynoxymethylcyclohexane
SMILESCCC(C)C#COCC1CCCCC1
InChIInChI=1S/C13H22O/c1-3-12(2)9-10-14-11-13-7-5-4-6-8-13/h12-13H,3-8,11H2,1-2H3
InChIKeyVSKXDJPVEKKNRL-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.59
Rot. Bonds3

About 3-methylpent-1-ynoxymethylcyclohexane

3-methylpent-1-ynoxymethylcyclohexane (PubChem CID 14970147) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-methylpent-1-ynoxymethylcyclohexane.

Molecular Properties

Compound Name3-methylpent-1-ynoxymethylcyclohexane
PubChem CID14970147
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name3-methylpent-1-ynoxymethylcyclohexane
SMILESCCC(C)C#COCC1CCCCC1
InChIInChI=1S/C13H22O/c1-3-12(2)9-10-14-11-13-7-5-4-6-8-13/h12-13H,3-8,11H2,1-2H3
InChIKeyVSKXDJPVEKKNRL-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.59
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 3-methylpent-1-ynoxymethylcyclohexane?
The IUPAC name of 3-methylpent-1-ynoxymethylcyclohexane (CID 14970147) is 3-methylpent-1-ynoxymethylcyclohexane.
What is the SMILES notation for 3-methylpent-1-ynoxymethylcyclohexane?
The canonical SMILES for 3-methylpent-1-ynoxymethylcyclohexane is CCC(C)C#COCC1CCCCC1.
What is the InChIKey of 3-methylpent-1-ynoxymethylcyclohexane?
The InChIKey is VSKXDJPVEKKNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-12(2)9-10-14-11-13-7-5-4-6-8-13/h12-13H,3-8,11H2,1-2H3.
What are the key properties of 3-methylpent-1-ynoxymethylcyclohexane?
3-methylpent-1-ynoxymethylcyclohexane has a molecular weight of 194.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpent-1-ynoxymethylcyclohexane is sourced from PubChem (CID 14970147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).