(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid

C20H34O2 — CID 21145257

IUPAC(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
SMILESCCCCCC/C=C/[C@H]1CCC[C@@H]1C/C=C/CCCC(=O)O
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h7,9-10,13,18-19H,2-6,8,11-12,14-17H2,1H3,(H,21,22)/b10-7+,13-9+/t18-,19-/m0/s1
InChIKeyNJJNWEJOWXWBBX-VXWKZVPUSA-N
MW306.49 g/mol
LogP6.13
Rot. Bonds12

About (E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid

(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid (PubChem CID 21145257) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
PubChem CID21145257
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
SMILESCCCCCC/C=C/[C@H]1CCC[C@@H]1C/C=C/CCCC(=O)O
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h7,9-10,13,18-19H,2-6,8,11-12,14-17H2,1H3,(H,21,22)/b10-7+,13-9+/t18-,19-/m0/s1
InChIKeyNJJNWEJOWXWBBX-VXWKZVPUSA-N
XLogP6.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.13
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 (E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid
CID 153363841
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
(Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 172859860
8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
CID 54134891
5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 154418264
(Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane
CID 142043708
(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol
CID 70607428
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181
(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

Frequently Asked Questions

What is the IUPAC name of (E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid?
The IUPAC name of (E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid (CID 21145257) is (E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid is CCCCCC/C=C/[C@H]1CCC[C@@H]1C/C=C/CCCC(=O)O.
What is the InChIKey of (E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid?
The InChIKey is NJJNWEJOWXWBBX-VXWKZVPUSA-N. The full InChI is InChI=1S/C20H34O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h7,9-10,13,18-19H,2-6,8,11-12,14-17H2,1H3,(H,21,22)/b10-7+,13-9+/t18-,19-/m0/s1.
What are the key properties of (E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid?
(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid has a molecular weight of 306.49 g/mol, XLogP of 6.13, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 21145257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).