(Z)-7-(2-methylphenyl)hept-6-enoic acid

C14H18O2 — CID 175666421

IUPAC(Z)-7-(2-methylphenyl)hept-6-enoic acid
SMILESCc1ccccc1/C=C\CCCCC(=O)O
InChIInChI=1S/C14H18O2/c1-12-8-6-7-10-13(12)9-4-2-3-5-11-14(15)16/h4,6-10H,2-3,5,11H2,1H3,(H,15,16)/b9-4-
InChIKeyMUQSAPBWRPFMAB-WTKPLQERSA-N
MW218.30 g/mol
LogP3.65
Rot. Bonds6

About (Z)-7-(2-methylphenyl)hept-6-enoic acid

(Z)-7-(2-methylphenyl)hept-6-enoic acid (PubChem CID 175666421) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (Z)-7-(2-methylphenyl)hept-6-enoic acid.

Molecular Properties

Compound Name(Z)-7-(2-methylphenyl)hept-6-enoic acid
PubChem CID175666421
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(Z)-7-(2-methylphenyl)hept-6-enoic acid
SMILESCc1ccccc1/C=C\CCCCC(=O)O
InChIInChI=1S/C14H18O2/c1-12-8-6-7-10-13(12)9-4-2-3-5-11-14(15)16/h4,6-10H,2-3,5,11H2,1H3,(H,15,16)/b9-4-
InChIKeyMUQSAPBWRPFMAB-WTKPLQERSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-(2-methylphenyl)pent-4-enoic acid
CID 124649897
(E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid
CID 58721548
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
1-[(E)-hex-1-enyl]-2-methylbenzene
CID 143283238
(E)-6-(5-tert-butyl-2-methylphenyl)hex-5-enoic acid
CID 95466871
(Z)-6-[2-[(Z)-1-hydroxynon-3-enyl]phenyl]hex-5-enoic acid
CID 67708708
3-[2-[(Z)-tridec-1-enyl]phenyl]propanoic acid
CID 70431836
(E)-6-(2-nonylphenyl)hex-5-enoic acid
CID 21273106
(E)-6-(2-methylphenyl)hex-5-enenitrile
CID 14970935
benzoic acid;tris(octadec-9-enoic acid)
CID 161443012
11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid
CID 175923096

Frequently Asked Questions

What is the IUPAC name of (Z)-7-(2-methylphenyl)hept-6-enoic acid?
The IUPAC name of (Z)-7-(2-methylphenyl)hept-6-enoic acid (CID 175666421) is (Z)-7-(2-methylphenyl)hept-6-enoic acid.
What is the SMILES notation for (Z)-7-(2-methylphenyl)hept-6-enoic acid?
The canonical SMILES for (Z)-7-(2-methylphenyl)hept-6-enoic acid is Cc1ccccc1/C=C\CCCCC(=O)O.
What is the InChIKey of (Z)-7-(2-methylphenyl)hept-6-enoic acid?
The InChIKey is MUQSAPBWRPFMAB-WTKPLQERSA-N. The full InChI is InChI=1S/C14H18O2/c1-12-8-6-7-10-13(12)9-4-2-3-5-11-14(15)16/h4,6-10H,2-3,5,11H2,1H3,(H,15,16)/b9-4-.
What are the key properties of (Z)-7-(2-methylphenyl)hept-6-enoic acid?
(Z)-7-(2-methylphenyl)hept-6-enoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(2-methylphenyl)hept-6-enoic acid is sourced from PubChem (CID 175666421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).