1-(3-methylpentyl)-3-prop-2-enoxycyclohexane

C15H28O — CID 58800358

IUPAC1-(3-methylpentyl)-3-prop-2-enoxycyclohexane
SMILESC=CCOC1CCCC(CCC(C)CC)C1
InChIInChI=1S/C15H28O/c1-4-11-16-15-8-6-7-14(12-15)10-9-13(3)5-2/h4,13-15H,1,5-12H2,2-3H3
InChIKeyQEDKAGWWEHCBTF-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.57
Rot. Bonds7

About 1-(3-methylpentyl)-3-prop-2-enoxycyclohexane

1-(3-methylpentyl)-3-prop-2-enoxycyclohexane (PubChem CID 58800358) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(3-methylpentyl)-3-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name1-(3-methylpentyl)-3-prop-2-enoxycyclohexane
PubChem CID58800358
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-(3-methylpentyl)-3-prop-2-enoxycyclohexane
SMILESC=CCOC1CCCC(CCC(C)CC)C1
InChIInChI=1S/C15H28O/c1-4-11-16-15-8-6-7-14(12-15)10-9-13(3)5-2/h4,13-15H,1,5-12H2,2-3H3
InChIKeyQEDKAGWWEHCBTF-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.57
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-(3-methylpentyl)-3-prop-2-enoxycyclohexane?
The IUPAC name of 1-(3-methylpentyl)-3-prop-2-enoxycyclohexane (CID 58800358) is 1-(3-methylpentyl)-3-prop-2-enoxycyclohexane.
What is the SMILES notation for 1-(3-methylpentyl)-3-prop-2-enoxycyclohexane?
The canonical SMILES for 1-(3-methylpentyl)-3-prop-2-enoxycyclohexane is C=CCOC1CCCC(CCC(C)CC)C1.
What is the InChIKey of 1-(3-methylpentyl)-3-prop-2-enoxycyclohexane?
The InChIKey is QEDKAGWWEHCBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-4-11-16-15-8-6-7-14(12-15)10-9-13(3)5-2/h4,13-15H,1,5-12H2,2-3H3.
What are the key properties of 1-(3-methylpentyl)-3-prop-2-enoxycyclohexane?
1-(3-methylpentyl)-3-prop-2-enoxycyclohexane has a molecular weight of 224.39 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentyl)-3-prop-2-enoxycyclohexane is sourced from PubChem (CID 58800358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).