(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate

C14H24O2 — CID 527270

IUPAC(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate
SMILESC=C(C)C(CC=C(C)C)COC(=O)C(C)C
InChIInChI=1S/C14H24O2/c1-10(2)7-8-13(11(3)4)9-16-14(15)12(5)6/h7,12-13H,3,8-9H2,1-2,4-6H3
InChIKeyHPBLXFPAJRUZKY-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.73
Rot. Bonds6

About (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate

(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate (PubChem CID 527270) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate.

Molecular Properties

Compound Name(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate
PubChem CID527270
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate
SMILESC=C(C)C(CC=C(C)C)COC(=O)C(C)C
InChIInChI=1S/C14H24O2/c1-10(2)7-8-13(11(3)4)9-16-14(15)12(5)6/h7,12-13H,3,8-9H2,1-2,4-6H3
InChIKeyHPBLXFPAJRUZKY-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate?
The IUPAC name of (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate (CID 527270) is (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate.
What is the SMILES notation for (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate?
The canonical SMILES for (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate is C=C(C)C(CC=C(C)C)COC(=O)C(C)C.
What is the InChIKey of (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate?
The InChIKey is HPBLXFPAJRUZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)7-8-13(11(3)4)9-16-14(15)12(5)6/h7,12-13H,3,8-9H2,1-2,4-6H3.
What are the key properties of (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate?
(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate has a molecular weight of 224.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate is sourced from PubChem (CID 527270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).