[(3R,5E)-nona-1,5-dien-3-yl] formate

C10H16O2 — CID 163187855

IUPAC[(3R,5E)-nona-1,5-dien-3-yl] formate
SMILESC=C[C@@H](C/C=C/CCC)OC=O
InChIInChI=1S/C10H16O2/c1-3-5-6-7-8-10(4-2)12-9-11/h4,6-7,9-10H,2-3,5,8H2,1H3/b7-6+/t10-/m0/s1
InChIKeyGLNOXUBTLPASTG-FGEFZZPRSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds7

About [(3R,5E)-nona-1,5-dien-3-yl] formate

[(3R,5E)-nona-1,5-dien-3-yl] formate (PubChem CID 163187855) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(3R,5E)-nona-1,5-dien-3-yl] formate.

Molecular Properties

Compound Name[(3R,5E)-nona-1,5-dien-3-yl] formate
PubChem CID163187855
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(3R,5E)-nona-1,5-dien-3-yl] formate
SMILESC=C[C@@H](C/C=C/CCC)OC=O
InChIInChI=1S/C10H16O2/c1-3-5-6-7-8-10(4-2)12-9-11/h4,6-7,9-10H,2-3,5,8H2,1H3/b7-6+/t10-/m0/s1
InChIKeyGLNOXUBTLPASTG-FGEFZZPRSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,5E)-nona-1,5-dien-3-yl] formate?
The IUPAC name of [(3R,5E)-nona-1,5-dien-3-yl] formate (CID 163187855) is [(3R,5E)-nona-1,5-dien-3-yl] formate.
What is the SMILES notation for [(3R,5E)-nona-1,5-dien-3-yl] formate?
The canonical SMILES for [(3R,5E)-nona-1,5-dien-3-yl] formate is C=C[C@@H](C/C=C/CCC)OC=O.
What is the InChIKey of [(3R,5E)-nona-1,5-dien-3-yl] formate?
The InChIKey is GLNOXUBTLPASTG-FGEFZZPRSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-6-7-8-10(4-2)12-9-11/h4,6-7,9-10H,2-3,5,8H2,1H3/b7-6+/t10-/m0/s1.
What are the key properties of [(3R,5E)-nona-1,5-dien-3-yl] formate?
[(3R,5E)-nona-1,5-dien-3-yl] formate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5E)-nona-1,5-dien-3-yl] formate is sourced from PubChem (CID 163187855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).