(1-heptylcyclooctyl)methyl prop-2-enoate

C19H34O2 — CID 141276074

IUPAC(1-heptylcyclooctyl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(CCCCCCC)CCCCCCC1
InChIInChI=1S/C19H34O2/c1-3-5-6-8-11-14-19(17-21-18(20)4-2)15-12-9-7-10-13-16-19/h4H,2-3,5-17H2,1H3
InChIKeyMSFQGIUUXIWCKB-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.81
Rot. Bonds9

About (1-heptylcyclooctyl)methyl prop-2-enoate

(1-heptylcyclooctyl)methyl prop-2-enoate (PubChem CID 141276074) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (1-heptylcyclooctyl)methyl prop-2-enoate.

Molecular Properties

Compound Name(1-heptylcyclooctyl)methyl prop-2-enoate
PubChem CID141276074
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(1-heptylcyclooctyl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(CCCCCCC)CCCCCCC1
InChIInChI=1S/C19H34O2/c1-3-5-6-8-11-14-19(17-21-18(20)4-2)15-12-9-7-10-13-16-19/h4H,2-3,5-17H2,1H3
InChIKeyMSFQGIUUXIWCKB-UHFFFAOYSA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.81
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 (1-heptylcyclooctyl)methyl 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

(1-pentylcyclobutyl)methyl prop-2-enoate
CID 141276106
[1-(6-methylheptyl)cyclohexyl]methyl prop-2-enoate
CID 141276062
(3-butyloxetan-3-yl)methyl prop-2-enoate
CID 23067252
[1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate
CID 141276054
1-hexyl-1-(methoxymethyl)cyclopentane
CID 143807105
2-(1-tetradecylcyclohexyl)acetic acid
CID 172766747
methyl 8-(1-heptylcyclohexyl)octanoate
CID 118260042
1,1-di(nonyl)cyclopentane
CID 154318487
1,1-dihexadecylcyclopentane
CID 141255150
1,1-dipentylcyclononane
CID 169026027
1,1-dioctylcyclopentane
CID 54295272
hexyl prop-2-enoate
CID 17259

Frequently Asked Questions

What is the IUPAC name of (1-heptylcyclooctyl)methyl prop-2-enoate?
The IUPAC name of (1-heptylcyclooctyl)methyl prop-2-enoate (CID 141276074) is (1-heptylcyclooctyl)methyl prop-2-enoate.
What is the SMILES notation for (1-heptylcyclooctyl)methyl prop-2-enoate?
The canonical SMILES for (1-heptylcyclooctyl)methyl prop-2-enoate is C=CC(=O)OCC1(CCCCCCC)CCCCCCC1.
What is the InChIKey of (1-heptylcyclooctyl)methyl prop-2-enoate?
The InChIKey is MSFQGIUUXIWCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-5-6-8-11-14-19(17-21-18(20)4-2)15-12-9-7-10-13-16-19/h4H,2-3,5-17H2,1H3.
What are the key properties of (1-heptylcyclooctyl)methyl prop-2-enoate?
(1-heptylcyclooctyl)methyl prop-2-enoate has a molecular weight of 294.48 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-heptylcyclooctyl)methyl prop-2-enoate is sourced from PubChem (CID 141276074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).