(Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane

C28H42O2 — CID 142043708

IUPAC(Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane
SMILESCCC.O=C(O)CCC/C=C\C[C@H]1CCCC1/C=C/CCCC=Cc1ccccc1
InChIInChI=1S/C25H34O2.C3H8/c26-25(27)21-12-5-4-11-18-24-20-13-19-23(24)17-10-3-1-2-7-14-22-15-8-6-9-16-22;1-3-2/h4,6-11,14-17,23-24H,1-3,5,12-13,18-21H2,(H,26,27);3H2,1-2H3/b11-4-,14-7?,17-10+;/t23?,24-;/m0./s1
InChIKeySGLPLIJCBRTEMS-NTOYSCMNSA-N
MW410.64 g/mol
LogP8.46
Rot. Bonds12

About (Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane

(Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane (PubChem CID 142043708) has the molecular formula C28H42O2 and a molecular weight of 410.64 g/mol. Its IUPAC name is (Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane.

Molecular Properties

Compound Name(Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane
PubChem CID142043708
Molecular FormulaC28H42O2
Molecular Weight410.64 g/mol
Exact Mass410.32
IUPAC Name(Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane
SMILESCCC.O=C(O)CCC/C=C\C[C@H]1CCCC1/C=C/CCCC=Cc1ccccc1
InChIInChI=1S/C25H34O2.C3H8/c26-25(27)21-12-5-4-11-18-24-20-13-19-23(24)17-10-3-1-2-7-14-22-15-8-6-9-16-22;1-3-2/h4,6-11,14-17,23-24H,1-3,5,12-13,18-21H2,(H,26,27);3H2,1-2H3/b11-4-,14-7?,17-10+;/t23?,24-;/m0./s1
InChIKeySGLPLIJCBRTEMS-NTOYSCMNSA-N
XLogP8.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.64
LogP ≤ 58.46
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'}

Analyze (Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane with MolForge

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Launch Full Analysis

Related Compounds

(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
(Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one
CID 129189388
(Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 172859860
4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid
CID 153363841
(Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid
CID 144709528
(E)-7-[2-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
CID 22093416
(Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
CID 59892273
(Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane
CID 158178848
7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743
1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol
CID 123550765

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane?
The IUPAC name of (Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane (CID 142043708) is (Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane.
What is the SMILES notation for (Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane?
The canonical SMILES for (Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane is CCC.O=C(O)CCC/C=C\C[C@H]1CCCC1/C=C/CCCC=Cc1ccccc1.
What is the InChIKey of (Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane?
The InChIKey is SGLPLIJCBRTEMS-NTOYSCMNSA-N. The full InChI is InChI=1S/C25H34O2.C3H8/c26-25(27)21-12-5-4-11-18-24-20-13-19-23(24)17-10-3-1-2-7-14-22-15-8-6-9-16-22;1-3-2/h4,6-11,14-17,23-24H,1-3,5,12-13,18-21H2,(H,26,27);3H2,1-2H3/b11-4-,14-7?,17-10+;/t23?,24-;/m0./s1.
What are the key properties of (Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane?
(Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane has a molecular weight of 410.64 g/mol, XLogP of 8.46, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane is sourced from PubChem (CID 142043708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).