(Z)-18-cyclohexyloctadec-9-enoic acid

C24H44O2 — CID 70304704

IUPAC(Z)-18-cyclohexyloctadec-9-enoic acid
SMILESO=C(O)CCCCCCC/C=C\CCCCCCCCC1CCCCC1
InChIInChI=1S/C24H44O2/c25-24(26)22-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19-23-20-16-14-17-21-23/h1,3,23H,2,4-22H2,(H,25,26)/b3-1-
InChIKeyDGDDXPNUTILCKE-IWQZZHSRSA-N
MW364.61 g/mol
LogP8.06
Rot. Bonds17

About (Z)-18-cyclohexyloctadec-9-enoic acid

(Z)-18-cyclohexyloctadec-9-enoic acid (PubChem CID 70304704) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is (Z)-18-cyclohexyloctadec-9-enoic acid.

Molecular Properties

Compound Name(Z)-18-cyclohexyloctadec-9-enoic acid
PubChem CID70304704
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Name(Z)-18-cyclohexyloctadec-9-enoic acid
SMILESO=C(O)CCCCCCC/C=C\CCCCCCCCC1CCCCC1
InChIInChI=1S/C24H44O2/c25-24(26)22-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19-23-20-16-14-17-21-23/h1,3,23H,2,4-22H2,(H,25,26)/b3-1-
InChIKeyDGDDXPNUTILCKE-IWQZZHSRSA-N
XLogP8.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 58.06
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

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CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
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8-cyclooctyloctanoic acid
CID 142719661
8-cyclobutyloctanoic acid
CID 72551210
12-[(8E)-cyclohexadec-8-en-1-yl]dodecanoic acid
CID 67740189
11-(3-deuteriocycloheptyl)(1113C)undecanoic acid
CID 10565022
11-(3-deuteriocycloheptyl)undecanoic acid
CID 10731719
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
ethane;octylcyclopentane;6-oxohexanoic acid
CID 142072660
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001

Frequently Asked Questions

What is the IUPAC name of (Z)-18-cyclohexyloctadec-9-enoic acid?
The IUPAC name of (Z)-18-cyclohexyloctadec-9-enoic acid (CID 70304704) is (Z)-18-cyclohexyloctadec-9-enoic acid.
What is the SMILES notation for (Z)-18-cyclohexyloctadec-9-enoic acid?
The canonical SMILES for (Z)-18-cyclohexyloctadec-9-enoic acid is O=C(O)CCCCCCC/C=C\CCCCCCCCC1CCCCC1.
What is the InChIKey of (Z)-18-cyclohexyloctadec-9-enoic acid?
The InChIKey is DGDDXPNUTILCKE-IWQZZHSRSA-N. The full InChI is InChI=1S/C24H44O2/c25-24(26)22-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19-23-20-16-14-17-21-23/h1,3,23H,2,4-22H2,(H,25,26)/b3-1-.
What are the key properties of (Z)-18-cyclohexyloctadec-9-enoic acid?
(Z)-18-cyclohexyloctadec-9-enoic acid has a molecular weight of 364.61 g/mol, XLogP of 8.06, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18-cyclohexyloctadec-9-enoic acid is sourced from PubChem (CID 70304704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).