(1-propylcyclononyl) prop-2-enoate

C15H26O2 — CID 141276110

IUPAC(1-propylcyclononyl) prop-2-enoate
SMILESC=CC(=O)OC1(CCC)CCCCCCCC1
InChIInChI=1S/C15H26O2/c1-3-11-15(17-14(16)4-2)12-9-7-5-6-8-10-13-15/h4H,2-3,5-13H2,1H3
InChIKeyRVIFZWDVFBCLJK-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.39
Rot. Bonds4

About (1-propylcyclononyl) prop-2-enoate

(1-propylcyclononyl) prop-2-enoate (PubChem CID 141276110) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1-propylcyclononyl) prop-2-enoate.

Molecular Properties

Compound Name(1-propylcyclononyl) prop-2-enoate
PubChem CID141276110
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1-propylcyclononyl) prop-2-enoate
SMILESC=CC(=O)OC1(CCC)CCCCCCCC1
InChIInChI=1S/C15H26O2/c1-3-11-15(17-14(16)4-2)12-9-7-5-6-8-10-13-15/h4H,2-3,5-13H2,1H3
InChIKeyRVIFZWDVFBCLJK-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate
CID 57237184
[1-(3-ethylpentan-3-yl)cyclohexyl] prop-2-enoate
CID 66663238
(1,3-diethyl-3-methylcyclohexyl) prop-2-enoate
CID 89042692
oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate
CID 87085924
4-oxo-4-(1-propylcyclopropyl)oxybut-2-enoic acid
CID 54213004
(1-ethylcyclopentyl) 2-methylidenebut-3-enoate
CID 148827736
(1-propan-2-ylcyclohexyl) prop-2-enoate
CID 58734584
(1,2,2-trimethylcyclooctyl) prop-2-enoate
CID 164546648
[1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate
CID 20502006
(1-heptylcyclooctyl)methyl prop-2-enoate
CID 141276074
(1-methyl-4-pentyl-4-propylcyclohexyl) prop-2-enoate
CID 145215456
4-(1-propylcyclopropyl)oxycarbonylpenta-2,4-dienoic acid
CID 57098433

Frequently Asked Questions

What is the IUPAC name of (1-propylcyclononyl) prop-2-enoate?
The IUPAC name of (1-propylcyclononyl) prop-2-enoate (CID 141276110) is (1-propylcyclononyl) prop-2-enoate.
What is the SMILES notation for (1-propylcyclononyl) prop-2-enoate?
The canonical SMILES for (1-propylcyclononyl) prop-2-enoate is C=CC(=O)OC1(CCC)CCCCCCCC1.
What is the InChIKey of (1-propylcyclononyl) prop-2-enoate?
The InChIKey is RVIFZWDVFBCLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-11-15(17-14(16)4-2)12-9-7-5-6-8-10-13-15/h4H,2-3,5-13H2,1H3.
What are the key properties of (1-propylcyclononyl) prop-2-enoate?
(1-propylcyclononyl) prop-2-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylcyclononyl) prop-2-enoate is sourced from PubChem (CID 141276110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).