(E)-7-cyclopentylhept-6-enoic acid

C12H20O2 — CID 20506982

IUPAC(E)-7-cyclopentylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C/C1CCCC1
InChIInChI=1S/C12H20O2/c13-12(14)10-4-2-1-3-7-11-8-5-6-9-11/h3,7,11H,1-2,4-6,8-10H2,(H,13,14)/b7-3+
InChIKeyUDCMDPZLZVVVON-XVNBXDOJSA-N
MW196.29 g/mol
LogP3.38
Rot. Bonds6

About (E)-7-cyclopentylhept-6-enoic acid

(E)-7-cyclopentylhept-6-enoic acid (PubChem CID 20506982) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (E)-7-cyclopentylhept-6-enoic acid.

Molecular Properties

Compound Name(E)-7-cyclopentylhept-6-enoic acid
PubChem CID20506982
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(E)-7-cyclopentylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C/C1CCCC1
InChIInChI=1S/C12H20O2/c13-12(14)10-4-2-1-3-7-11-8-5-6-9-11/h3,7,11H,1-2,4-6,8-10H2,(H,13,14)/b7-3+
InChIKeyUDCMDPZLZVVVON-XVNBXDOJSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11-(oxan-4-yl)undec-10-enoic acid
CID 164916370
(Z)-18-cyclohexyloctadec-9-enoic acid
CID 70304704
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
(Z)-dodec-5-enedioic acid
CID 86751837
(Z)-7-[(1R,2R,3S,4S)-3-formyl-7-oxabicyclo[2.2.1]heptan-2-yl]hept-6-enoic acid
CID 88783149
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655
4-(2-hydroxyphenyl)butanoic acid;[(E)-oct-1-en-6-ynyl]cyclopentane
CID 144555051
7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342

Frequently Asked Questions

What is the IUPAC name of (E)-7-cyclopentylhept-6-enoic acid?
The IUPAC name of (E)-7-cyclopentylhept-6-enoic acid (CID 20506982) is (E)-7-cyclopentylhept-6-enoic acid.
What is the SMILES notation for (E)-7-cyclopentylhept-6-enoic acid?
The canonical SMILES for (E)-7-cyclopentylhept-6-enoic acid is O=C(O)CCCC/C=C/C1CCCC1.
What is the InChIKey of (E)-7-cyclopentylhept-6-enoic acid?
The InChIKey is UDCMDPZLZVVVON-XVNBXDOJSA-N. The full InChI is InChI=1S/C12H20O2/c13-12(14)10-4-2-1-3-7-11-8-5-6-9-11/h3,7,11H,1-2,4-6,8-10H2,(H,13,14)/b7-3+.
What are the key properties of (E)-7-cyclopentylhept-6-enoic acid?
(E)-7-cyclopentylhept-6-enoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-cyclopentylhept-6-enoic acid is sourced from PubChem (CID 20506982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).