methyl (3Z,5Z)-5-methylocta-3,5-dienoate

C10H16O2 — CID 142150538

IUPACmethyl (3Z,5Z)-5-methylocta-3,5-dienoate
SMILESCC/C=C(C)\C=C/CC(=O)OC
InChIInChI=1S/C10H16O2/c1-4-6-9(2)7-5-8-10(11)12-3/h5-7H,4,8H2,1-3H3/b7-5-,9-6-
InChIKeyWOJJKOACVPMECJ-BSIYMUDXSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds4

About methyl (3Z,5Z)-5-methylocta-3,5-dienoate

methyl (3Z,5Z)-5-methylocta-3,5-dienoate (PubChem CID 142150538) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl (3Z,5Z)-5-methylocta-3,5-dienoate.

Molecular Properties

Compound Namemethyl (3Z,5Z)-5-methylocta-3,5-dienoate
PubChem CID142150538
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl (3Z,5Z)-5-methylocta-3,5-dienoate
SMILESCC/C=C(C)\C=C/CC(=O)OC
InChIInChI=1S/C10H16O2/c1-4-6-9(2)7-5-8-10(11)12-3/h5-7H,4,8H2,1-3H3/b7-5-,9-6-
InChIKeyWOJJKOACVPMECJ-BSIYMUDXSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (3Z,5E)-5-aminohepta-3,5-dienoate
CID 167290715
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
methyl (E)-6-oxohept-3-enoate
CID 58421988
methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
CID 121274529
(2E,4E)-4-methylhepta-2,4-dien-1-ol
CID 10654230
methyl 4-methoxypent-3-enoate
CID 131857194
methyl (3E,7E)-undeca-3,7-dienoate
CID 102118339
methyl (3E,6E)-deca-3,6-dienoate
CID 18319379
ethyl 5-methylhexa-3,5-dienoate
CID 54020800
methyl (Z)-5-methylhex-3-enoate
CID 117268010
(3E)-4-methyldeca-3,5-diene
CID 173452678
4,8,8-trimethylnona-3,5-diene
CID 123895816

Frequently Asked Questions

What is the IUPAC name of methyl (3Z,5Z)-5-methylocta-3,5-dienoate?
The IUPAC name of methyl (3Z,5Z)-5-methylocta-3,5-dienoate (CID 142150538) is methyl (3Z,5Z)-5-methylocta-3,5-dienoate.
What is the SMILES notation for methyl (3Z,5Z)-5-methylocta-3,5-dienoate?
The canonical SMILES for methyl (3Z,5Z)-5-methylocta-3,5-dienoate is CC/C=C(C)\C=C/CC(=O)OC.
What is the InChIKey of methyl (3Z,5Z)-5-methylocta-3,5-dienoate?
The InChIKey is WOJJKOACVPMECJ-BSIYMUDXSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-9(2)7-5-8-10(11)12-3/h5-7H,4,8H2,1-3H3/b7-5-,9-6-.
What are the key properties of methyl (3Z,5Z)-5-methylocta-3,5-dienoate?
methyl (3Z,5Z)-5-methylocta-3,5-dienoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z,5Z)-5-methylocta-3,5-dienoate is sourced from PubChem (CID 142150538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).