2-(1-hydroxycyclohexyl)undec-10-enoic acid

C17H30O3 — CID 13072547

IUPAC2-(1-hydroxycyclohexyl)undec-10-enoic acid
SMILESC=CCCCCCCCC(C(=O)O)C1(O)CCCCC1
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-7-9-12-15(16(18)19)17(20)13-10-8-11-14-17/h2,15,20H,1,3-14H2,(H,18,19)
InChIKeyOZTDHWDBJXSESJ-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.30
Rot. Bonds10

About 2-(1-hydroxycyclohexyl)undec-10-enoic acid

2-(1-hydroxycyclohexyl)undec-10-enoic acid (PubChem CID 13072547) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)undec-10-enoic acid.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)undec-10-enoic acid
PubChem CID13072547
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name2-(1-hydroxycyclohexyl)undec-10-enoic acid
SMILESC=CCCCCCCCC(C(=O)O)C1(O)CCCCC1
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-7-9-12-15(16(18)19)17(20)13-10-8-11-14-17/h2,15,20H,1,3-14H2,(H,18,19)
InChIKeyOZTDHWDBJXSESJ-UHFFFAOYSA-N
XLogP4.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)undec-10-enoic acid?
The IUPAC name of 2-(1-hydroxycyclohexyl)undec-10-enoic acid (CID 13072547) is 2-(1-hydroxycyclohexyl)undec-10-enoic acid.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)undec-10-enoic acid?
The canonical SMILES for 2-(1-hydroxycyclohexyl)undec-10-enoic acid is C=CCCCCCCCC(C(=O)O)C1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)undec-10-enoic acid?
The InChIKey is OZTDHWDBJXSESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-2-3-4-5-6-7-9-12-15(16(18)19)17(20)13-10-8-11-14-17/h2,15,20H,1,3-14H2,(H,18,19).
What are the key properties of 2-(1-hydroxycyclohexyl)undec-10-enoic acid?
2-(1-hydroxycyclohexyl)undec-10-enoic acid has a molecular weight of 282.42 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)undec-10-enoic acid is sourced from PubChem (CID 13072547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).