undeca-1,5-dien-4-yl formate

C12H20O2 — CID 173393596

IUPACundeca-1,5-dien-4-yl formate
SMILESC=CCC(C=CCCCCC)OC=O
InChIInChI=1S/C12H20O2/c1-3-5-6-7-8-10-12(9-4-2)14-11-13/h4,8,10-12H,2-3,5-7,9H2,1H3
InChIKeyDZLWSJSDUAVPOV-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.24
Rot. Bonds9

About undeca-1,5-dien-4-yl formate

undeca-1,5-dien-4-yl formate (PubChem CID 173393596) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is undeca-1,5-dien-4-yl formate.

Molecular Properties

Compound Nameundeca-1,5-dien-4-yl formate
PubChem CID173393596
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameundeca-1,5-dien-4-yl formate
SMILESC=CCC(C=CCCCCC)OC=O
InChIInChI=1S/C12H20O2/c1-3-5-6-7-8-10-12(9-4-2)14-11-13/h4,8,10-12H,2-3,5-7,9H2,1H3
InChIKeyDZLWSJSDUAVPOV-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-aminooxyoctadec-4-en-3-yl] formate
CID 167092782
hexadecanal;N-methylmethanamine;[(E,4S)-nonadec-5-en-4-yl] formate
CID 163385039
oct-1-en-4-yl formate
CID 87501677
[(E)-tricos-8-en-7-yl] prop-2-enoate
CID 22066051
4-ethyldeca-1,5-diene
CID 175490783
tetrakis[(E)-hept-1-enyl]phosphanium
CID 118306753
pentadeca-1,4,9-triene
CID 174048539
(4Z)-dodeca-1,4-diene
CID 12525542
tetratriaconta-3,6,25,28-tetraen-16-yl formate
CID 91592372
2-prop-2-enyloctadecanal
CID 173235739
triaconta-1,19-diene
CID 54007897
(7E)-heptadeca-1,7-diene
CID 19050683

Frequently Asked Questions

What is the IUPAC name of undeca-1,5-dien-4-yl formate?
The IUPAC name of undeca-1,5-dien-4-yl formate (CID 173393596) is undeca-1,5-dien-4-yl formate.
What is the SMILES notation for undeca-1,5-dien-4-yl formate?
The canonical SMILES for undeca-1,5-dien-4-yl formate is C=CCC(C=CCCCCC)OC=O.
What is the InChIKey of undeca-1,5-dien-4-yl formate?
The InChIKey is DZLWSJSDUAVPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-5-6-7-8-10-12(9-4-2)14-11-13/h4,8,10-12H,2-3,5-7,9H2,1H3.
What are the key properties of undeca-1,5-dien-4-yl formate?
undeca-1,5-dien-4-yl formate has a molecular weight of 196.29 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-1,5-dien-4-yl formate is sourced from PubChem (CID 173393596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).