6-(2,3-dibutylphenyl)dec-5-en-5-ol

C24H40O — CID 139798941

IUPAC6-(2,3-dibutylphenyl)dec-5-en-5-ol
SMILESCCCCC(O)=C(CCCC)c1cccc(CCCC)c1CCCC
InChIInChI=1S/C24H40O/c1-5-9-14-20-15-13-18-22(21(20)16-10-6-2)23(17-11-7-3)24(25)19-12-8-4/h13,15,18,25H,5-12,14,16-17,19H2,1-4H3
InChIKeyJBXNDZUWHCBWIV-UHFFFAOYSA-N
MW344.58 g/mol
LogP8.02
Rot. Bonds13

About 6-(2,3-dibutylphenyl)dec-5-en-5-ol

6-(2,3-dibutylphenyl)dec-5-en-5-ol (PubChem CID 139798941) has the molecular formula C24H40O and a molecular weight of 344.58 g/mol. Its IUPAC name is 6-(2,3-dibutylphenyl)dec-5-en-5-ol.

Molecular Properties

Compound Name6-(2,3-dibutylphenyl)dec-5-en-5-ol
PubChem CID139798941
Molecular FormulaC24H40O
Molecular Weight344.58 g/mol
Exact Mass344.31
IUPAC Name6-(2,3-dibutylphenyl)dec-5-en-5-ol
SMILESCCCCC(O)=C(CCCC)c1cccc(CCCC)c1CCCC
InChIInChI=1S/C24H40O/c1-5-9-14-20-15-13-18-22(21(20)16-10-6-2)23(17-11-7-3)24(25)19-12-8-4/h13,15,18,25H,5-12,14,16-17,19H2,1-4H3
InChIKeyJBXNDZUWHCBWIV-UHFFFAOYSA-N
XLogP8.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dibutylphenyl)dec-5-en-5-ol?
The IUPAC name of 6-(2,3-dibutylphenyl)dec-5-en-5-ol (CID 139798941) is 6-(2,3-dibutylphenyl)dec-5-en-5-ol.
What is the SMILES notation for 6-(2,3-dibutylphenyl)dec-5-en-5-ol?
The canonical SMILES for 6-(2,3-dibutylphenyl)dec-5-en-5-ol is CCCCC(O)=C(CCCC)c1cccc(CCCC)c1CCCC.
What is the InChIKey of 6-(2,3-dibutylphenyl)dec-5-en-5-ol?
The InChIKey is JBXNDZUWHCBWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O/c1-5-9-14-20-15-13-18-22(21(20)16-10-6-2)23(17-11-7-3)24(25)19-12-8-4/h13,15,18,25H,5-12,14,16-17,19H2,1-4H3.
What are the key properties of 6-(2,3-dibutylphenyl)dec-5-en-5-ol?
6-(2,3-dibutylphenyl)dec-5-en-5-ol has a molecular weight of 344.58 g/mol, XLogP of 8.02, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dibutylphenyl)dec-5-en-5-ol is sourced from PubChem (CID 139798941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).