(5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid

C10H14O2 — CID 144579461

IUPAC(5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid
SMILESC=C(C)/C=C\C(=C)CCC(=O)O
InChIInChI=1S/C10H14O2/c1-8(2)4-5-9(3)6-7-10(11)12/h4-5H,1,3,6-7H2,2H3,(H,11,12)/b5-4-
InChIKeyZBJHKKLHTGURPT-PLNGDYQASA-N
MW166.22 g/mol
LogP2.54
Rot. Bonds5

About (5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid

(5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid (PubChem CID 144579461) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid.

Molecular Properties

Compound Name(5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid
PubChem CID144579461
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid
SMILESC=C(C)/C=C\C(=C)CCC(=O)O
InChIInChI=1S/C10H14O2/c1-8(2)4-5-9(3)6-7-10(11)12/h4-5H,1,3,6-7H2,2H3,(H,11,12)/b5-4-
InChIKeyZBJHKKLHTGURPT-PLNGDYQASA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
4-formylpent-4-enoic acid
CID 55298799
butanedioic acid;bis(2-methylprop-2-enoic acid)
CID 87659592
acetic acid;butanedioic acid;(E)-but-2-enedioic acid
CID 158453165
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 145336589
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 144843023
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
acetic acid;butanedioic acid;prop-2-enoic acid
CID 161289385
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
4-hydroxypent-4-enoic acid
CID 19591824
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527

Frequently Asked Questions

What is the IUPAC name of (5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid?
The IUPAC name of (5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid (CID 144579461) is (5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid.
What is the SMILES notation for (5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid?
The canonical SMILES for (5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid is C=C(C)/C=C\C(=C)CCC(=O)O.
What is the InChIKey of (5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid?
The InChIKey is ZBJHKKLHTGURPT-PLNGDYQASA-N. The full InChI is InChI=1S/C10H14O2/c1-8(2)4-5-9(3)6-7-10(11)12/h4-5H,1,3,6-7H2,2H3,(H,11,12)/b5-4-.
What are the key properties of (5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid?
(5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid has a molecular weight of 166.22 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid is sourced from PubChem (CID 144579461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).