(6E)-7-methylnona-6,8-dienoic acid

C10H16O2 — CID 14813173

IUPAC(6E)-7-methylnona-6,8-dienoic acid
SMILESC=C/C(C)=C/CCCCC(=O)O
InChIInChI=1S/C10H16O2/c1-3-9(2)7-5-4-6-8-10(11)12/h3,7H,1,4-6,8H2,2H3,(H,11,12)/b9-7+
InChIKeyULLAQKDNFPGNJA-VQHVLOKHSA-N
MW168.24 g/mol
LogP2.76
Rot. Bonds6

About (6E)-7-methylnona-6,8-dienoic acid

(6E)-7-methylnona-6,8-dienoic acid (PubChem CID 14813173) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (6E)-7-methylnona-6,8-dienoic acid.

Molecular Properties

Compound Name(6E)-7-methylnona-6,8-dienoic acid
PubChem CID14813173
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(6E)-7-methylnona-6,8-dienoic acid
SMILESC=C/C(C)=C/CCCCC(=O)O
InChIInChI=1S/C10H16O2/c1-3-9(2)7-5-4-6-8-10(11)12/h3,7H,1,4-6,8H2,2H3,(H,11,12)/b9-7+
InChIKeyULLAQKDNFPGNJA-VQHVLOKHSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene
CID 142629908
(E)-2-methylnon-2-enedioic acid
CID 87072449
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
tritriacont-32-enoic acid
CID 54063641
nonadec-18-enoic acid
CID 543857
octadec-17-enoic acid
CID 5312444
decanedioic acid;prop-2-enoic acid
CID 87433899
hexanedioic acid;propan-2-one
CID 158520683
alumane;undec-10-enoic acid;hydrochloride
CID 175378056
9-acetyloctadec-9-enoic acid
CID 123865371
dec-1-ene;dec-9-enoic acid
CID 87497067
10-methylundeca-6,10-dienoic acid
CID 163214310

Frequently Asked Questions

What is the IUPAC name of (6E)-7-methylnona-6,8-dienoic acid?
The IUPAC name of (6E)-7-methylnona-6,8-dienoic acid (CID 14813173) is (6E)-7-methylnona-6,8-dienoic acid.
What is the SMILES notation for (6E)-7-methylnona-6,8-dienoic acid?
The canonical SMILES for (6E)-7-methylnona-6,8-dienoic acid is C=C/C(C)=C/CCCCC(=O)O.
What is the InChIKey of (6E)-7-methylnona-6,8-dienoic acid?
The InChIKey is ULLAQKDNFPGNJA-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-9(2)7-5-4-6-8-10(11)12/h3,7H,1,4-6,8H2,2H3,(H,11,12)/b9-7+.
What are the key properties of (6E)-7-methylnona-6,8-dienoic acid?
(6E)-7-methylnona-6,8-dienoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7-methylnona-6,8-dienoic acid is sourced from PubChem (CID 14813173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).