(E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid

C20H34O2 — CID 70981679

IUPAC(E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid
SMILESCCCCC/C=C/C1(/C=C/CCCCCCCC(=O)O)CC1
InChIInChI=1S/C20H34O2/c1-2-3-4-9-12-15-20(17-18-20)16-13-10-7-5-6-8-11-14-19(21)22/h12-13,15-16H,2-11,14,17-18H2,1H3,(H,21,22)/b15-12+,16-13+
InChIKeyLUUWZNSXZISEOH-WSGPNKEYSA-N
MW306.49 g/mol
LogP6.27
Rot. Bonds14

About (E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid

(E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid (PubChem CID 70981679) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid.

Molecular Properties

Compound Name(E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid
PubChem CID70981679
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid
SMILESCCCCC/C=C/C1(/C=C/CCCCCCCC(=O)O)CC1
InChIInChI=1S/C20H34O2/c1-2-3-4-9-12-15-20(17-18-20)16-13-10-7-5-6-8-11-14-19(21)22/h12-13,15-16H,2-11,14,17-18H2,1H3,(H,21,22)/b15-12+,16-13+
InChIKeyLUUWZNSXZISEOH-WSGPNKEYSA-N
XLogP6.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.27
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

tris((Z)-icos-9-enoic acid);yttrium
CID 155704235
triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352

Frequently Asked Questions

What is the IUPAC name of (E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid?
The IUPAC name of (E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid (CID 70981679) is (E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid.
What is the SMILES notation for (E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid?
The canonical SMILES for (E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid is CCCCC/C=C/C1(/C=C/CCCCCCCC(=O)O)CC1.
What is the InChIKey of (E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid?
The InChIKey is LUUWZNSXZISEOH-WSGPNKEYSA-N. The full InChI is InChI=1S/C20H34O2/c1-2-3-4-9-12-15-20(17-18-20)16-13-10-7-5-6-8-11-14-19(21)22/h12-13,15-16H,2-11,14,17-18H2,1H3,(H,21,22)/b15-12+,16-13+.
What are the key properties of (E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid?
(E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid has a molecular weight of 306.49 g/mol, XLogP of 6.27, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid is sourced from PubChem (CID 70981679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).