(6-methyl-5-propan-2-ylheptyl) prop-2-enoate

C14H26O2 — CID 162450476

IUPAC(6-methyl-5-propan-2-ylheptyl) prop-2-enoate
SMILESC=CC(=O)OCCCCC(C(C)C)C(C)C
InChIInChI=1S/C14H26O2/c1-6-14(15)16-10-8-7-9-13(11(2)3)12(4)5/h6,11-13H,1,7-10H2,2-5H3
InChIKeyHZNRPLQNXCDZGM-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.81
Rot. Bonds8

About (6-methyl-5-propan-2-ylheptyl) prop-2-enoate

(6-methyl-5-propan-2-ylheptyl) prop-2-enoate (PubChem CID 162450476) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (6-methyl-5-propan-2-ylheptyl) prop-2-enoate.

Molecular Properties

Compound Name(6-methyl-5-propan-2-ylheptyl) prop-2-enoate
PubChem CID162450476
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(6-methyl-5-propan-2-ylheptyl) prop-2-enoate
SMILESC=CC(=O)OCCCCC(C(C)C)C(C)C
InChIInChI=1S/C14H26O2/c1-6-14(15)16-10-8-7-9-13(11(2)3)12(4)5/h6,11-13H,1,7-10H2,2-5H3
InChIKeyHZNRPLQNXCDZGM-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6-methyl-5-propan-2-ylheptyl) prop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

6-methylheptyl prop-2-enoate;prop-2-enamide
CID 6452299
(Z)-but-2-enedioic acid;6-methylheptyl prop-2-enoate
CID 174829872
6-methyltetradecyl prop-2-enoate
CID 87169125
7-methyltridecyl prop-2-enoate
CID 139834261
6-methylnonyl prop-2-enoate
CID 21298968
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
isocyanic acid;6-methylheptyl prop-2-enoate
CID 175511930
6-methylheptyl prop-2-enoate;oxirane
CID 159134071
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
4-methylhexyl prop-2-enoate
CID 58980362

Frequently Asked Questions

What is the IUPAC name of (6-methyl-5-propan-2-ylheptyl) prop-2-enoate?
The IUPAC name of (6-methyl-5-propan-2-ylheptyl) prop-2-enoate (CID 162450476) is (6-methyl-5-propan-2-ylheptyl) prop-2-enoate.
What is the SMILES notation for (6-methyl-5-propan-2-ylheptyl) prop-2-enoate?
The canonical SMILES for (6-methyl-5-propan-2-ylheptyl) prop-2-enoate is C=CC(=O)OCCCCC(C(C)C)C(C)C.
What is the InChIKey of (6-methyl-5-propan-2-ylheptyl) prop-2-enoate?
The InChIKey is HZNRPLQNXCDZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-6-14(15)16-10-8-7-9-13(11(2)3)12(4)5/h6,11-13H,1,7-10H2,2-5H3.
What are the key properties of (6-methyl-5-propan-2-ylheptyl) prop-2-enoate?
(6-methyl-5-propan-2-ylheptyl) prop-2-enoate has a molecular weight of 226.36 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-5-propan-2-ylheptyl) prop-2-enoate is sourced from PubChem (CID 162450476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).