1-hexoxy-1-prop-2-enylcyclohexane

C15H28O — CID 15174031

IUPAC1-hexoxy-1-prop-2-enylcyclohexane
SMILESC=CCC1(OCCCCCC)CCCCC1
InChIInChI=1S/C15H28O/c1-3-5-6-10-14-16-15(11-4-2)12-8-7-9-13-15/h4H,2-3,5-14H2,1H3
InChIKeyGFUMMUVLRXAWJV-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.86
Rot. Bonds8

About 1-hexoxy-1-prop-2-enylcyclohexane

1-hexoxy-1-prop-2-enylcyclohexane (PubChem CID 15174031) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-hexoxy-1-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1-hexoxy-1-prop-2-enylcyclohexane
PubChem CID15174031
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-hexoxy-1-prop-2-enylcyclohexane
SMILESC=CCC1(OCCCCCC)CCCCC1
InChIInChI=1S/C15H28O/c1-3-5-6-10-14-16-15(11-4-2)12-8-7-9-13-15/h4H,2-3,5-14H2,1H3
InChIKeyGFUMMUVLRXAWJV-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-1-prop-2-enylcyclohexane?
The IUPAC name of 1-hexoxy-1-prop-2-enylcyclohexane (CID 15174031) is 1-hexoxy-1-prop-2-enylcyclohexane.
What is the SMILES notation for 1-hexoxy-1-prop-2-enylcyclohexane?
The canonical SMILES for 1-hexoxy-1-prop-2-enylcyclohexane is C=CCC1(OCCCCCC)CCCCC1.
What is the InChIKey of 1-hexoxy-1-prop-2-enylcyclohexane?
The InChIKey is GFUMMUVLRXAWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-5-6-10-14-16-15(11-4-2)12-8-7-9-13-15/h4H,2-3,5-14H2,1H3.
What are the key properties of 1-hexoxy-1-prop-2-enylcyclohexane?
1-hexoxy-1-prop-2-enylcyclohexane has a molecular weight of 224.39 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-1-prop-2-enylcyclohexane is sourced from PubChem (CID 15174031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).