methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate

C11H18O3 — CID 143778595

IUPACmethyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate
SMILESCC/C=C\C(=C/CCC)OC(=O)OC
InChIInChI=1S/C11H18O3/c1-4-6-8-10(9-7-5-2)14-11(12)13-3/h6,8-9H,4-5,7H2,1-3H3/b8-6-,10-9+
InChIKeyHIYSFATVSKRISF-JWJWWGMXSA-N
MW198.26 g/mol
LogP3.42
Rot. Bonds5

About methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate

methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate (PubChem CID 143778595) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate.

Molecular Properties

Compound Namemethyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate
PubChem CID143778595
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate
SMILESCC/C=C\C(=C/CCC)OC(=O)OC
InChIInChI=1S/C11H18O3/c1-4-6-8-10(9-7-5-2)14-11(12)13-3/h6,8-9H,4-5,7H2,1-3H3/b8-6-,10-9+
InChIKeyHIYSFATVSKRISF-JWJWWGMXSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(E)-pent-2-enoyl]carbamate
CID 11615207
(E)-N-hydroxypent-2-enamide
CID 87376694
N-chlorohex-2-enamide
CID 140536866
nona-3,5-dien-5-amine
CID 173041910
(E)-N-(cyanomethyl)pent-2-enamide
CID 131236211
ethyl 4-octa-3,5-dien-4-yloxycarbonyloxybenzoate
CID 91097231
CID 90268379
CID 90268379
methyl (E)-2-methylhex-2-enoate
CID 5364816
methyl (E)-2-hydroxy-3-methylhept-3-enoate
CID 22150999
(3Z,5E)-5-nitronona-3,5-diene
CID 163823768
methyl [(E)-oct-4-enyl] carbonate
CID 118976612
(3E,5E,7E)-5-ethyl-7-methylundeca-3,5,7-triene
CID 56936064

Frequently Asked Questions

What is the IUPAC name of methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate?
The IUPAC name of methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate (CID 143778595) is methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate.
What is the SMILES notation for methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate?
The canonical SMILES for methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate is CC/C=C\C(=C/CCC)OC(=O)OC.
What is the InChIKey of methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate?
The InChIKey is HIYSFATVSKRISF-JWJWWGMXSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-6-8-10(9-7-5-2)14-11(12)13-3/h6,8-9H,4-5,7H2,1-3H3/b8-6-,10-9+.
What are the key properties of methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate?
methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate has a molecular weight of 198.26 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate is sourced from PubChem (CID 143778595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).