methyl (4Z)-3-methylocta-4,7-dienoate

C10H16O2 — CID 139263829

IUPACmethyl (4Z)-3-methylocta-4,7-dienoate
SMILESC=CC/C=C\C(C)CC(=O)OC
InChIInChI=1S/C10H16O2/c1-4-5-6-7-9(2)8-10(11)12-3/h4,6-7,9H,1,5,8H2,2-3H3/b7-6-
InChIKeySCMBAZNRKUGJCE-SREVYHEPSA-N
MW168.24 g/mol
LogP2.32
Rot. Bonds5

About methyl (4Z)-3-methylocta-4,7-dienoate

methyl (4Z)-3-methylocta-4,7-dienoate (PubChem CID 139263829) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl (4Z)-3-methylocta-4,7-dienoate.

Molecular Properties

Compound Namemethyl (4Z)-3-methylocta-4,7-dienoate
PubChem CID139263829
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl (4Z)-3-methylocta-4,7-dienoate
SMILESC=CC/C=C\C(C)CC(=O)OC
InChIInChI=1S/C10H16O2/c1-4-5-6-7-9(2)8-10(11)12-3/h4,6-7,9H,1,5,8H2,2-3H3/b7-6-
InChIKeySCMBAZNRKUGJCE-SREVYHEPSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (4Z)-3-methylocta-4,7-dienoate?
The IUPAC name of methyl (4Z)-3-methylocta-4,7-dienoate (CID 139263829) is methyl (4Z)-3-methylocta-4,7-dienoate.
What is the SMILES notation for methyl (4Z)-3-methylocta-4,7-dienoate?
The canonical SMILES for methyl (4Z)-3-methylocta-4,7-dienoate is C=CC/C=C\C(C)CC(=O)OC.
What is the InChIKey of methyl (4Z)-3-methylocta-4,7-dienoate?
The InChIKey is SCMBAZNRKUGJCE-SREVYHEPSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-5-6-7-9(2)8-10(11)12-3/h4,6-7,9H,1,5,8H2,2-3H3/b7-6-.
What are the key properties of methyl (4Z)-3-methylocta-4,7-dienoate?
methyl (4Z)-3-methylocta-4,7-dienoate has a molecular weight of 168.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-3-methylocta-4,7-dienoate is sourced from PubChem (CID 139263829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).