1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane

C17H30O — CID 58555576

IUPAC1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane
SMILESC=CC1CCC(COC2CCC(CCC)C2)CC1
InChIInChI=1S/C17H30O/c1-3-5-15-10-11-17(12-15)18-13-16-8-6-14(4-2)7-9-16/h4,14-17H,2-3,5-13H2,1H3
InChIKeyBTXONVOCSLQFCS-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.96
Rot. Bonds6

About 1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane

1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane (PubChem CID 58555576) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane
PubChem CID58555576
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane
SMILESC=CC1CCC(COC2CCC(CCC)C2)CC1
InChIInChI=1S/C17H30O/c1-3-5-15-10-11-17(12-15)18-13-16-8-6-14(4-2)7-9-16/h4,14-17H,2-3,5-13H2,1H3
InChIKeyBTXONVOCSLQFCS-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane (CID 58555576) is 1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane is C=CC1CCC(COC2CCC(CCC)C2)CC1.
What is the InChIKey of 1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane?
The InChIKey is BTXONVOCSLQFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-3-5-15-10-11-17(12-15)18-13-16-8-6-14(4-2)7-9-16/h4,14-17H,2-3,5-13H2,1H3.
What are the key properties of 1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane?
1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane has a molecular weight of 250.43 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane is sourced from PubChem (CID 58555576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).