2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one

C18H30O3 — CID 59431514

IUPAC2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one
SMILESC=CCOCCCC(C)C(=O)C1CCC(OCC=C)CC1
InChIInChI=1S/C18H30O3/c1-4-12-20-14-6-7-15(3)18(19)16-8-10-17(11-9-16)21-13-5-2/h4-5,15-17H,1-2,6-14H2,3H3
InChIKeyBGIANGZDUBXMAS-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.94
Rot. Bonds11

About 2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one

2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one (PubChem CID 59431514) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one.

Molecular Properties

Compound Name2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one
PubChem CID59431514
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one
SMILESC=CCOCCCC(C)C(=O)C1CCC(OCC=C)CC1
InChIInChI=1S/C18H30O3/c1-4-12-20-14-6-7-15(3)18(19)16-8-10-17(11-9-16)21-13-5-2/h4-5,15-17H,1-2,6-14H2,3H3
InChIKeyBGIANGZDUBXMAS-UHFFFAOYSA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one?
The IUPAC name of 2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one (CID 59431514) is 2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one.
What is the SMILES notation for 2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one?
The canonical SMILES for 2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one is C=CCOCCCC(C)C(=O)C1CCC(OCC=C)CC1.
What is the InChIKey of 2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one?
The InChIKey is BGIANGZDUBXMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-4-12-20-14-6-7-15(3)18(19)16-8-10-17(11-9-16)21-13-5-2/h4-5,15-17H,1-2,6-14H2,3H3.
What are the key properties of 2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one?
2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one has a molecular weight of 294.44 g/mol, XLogP of 3.94, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one is sourced from PubChem (CID 59431514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).