10-butoxydecylbenzene

C20H34O — CID 151496754

IUPAC10-butoxydecylbenzene
SMILESCCCCOCCCCCCCCCCc1ccccc1
InChIInChI=1S/C20H34O/c1-2-3-18-21-19-14-9-7-5-4-6-8-11-15-20-16-12-10-13-17-20/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3
InChIKeyPPOPLFCLOQCASB-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.17
Rot. Bonds14

About 10-butoxydecylbenzene

10-butoxydecylbenzene (PubChem CID 151496754) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 10-butoxydecylbenzene.

Molecular Properties

Compound Name10-butoxydecylbenzene
PubChem CID151496754
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name10-butoxydecylbenzene
SMILESCCCCOCCCCCCCCCCc1ccccc1
InChIInChI=1S/C20H34O/c1-2-3-18-21-19-14-9-7-5-4-6-8-11-15-20-16-12-10-13-17-20/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3
InChIKeyPPOPLFCLOQCASB-UHFFFAOYSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-butoxydecylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
4-heptoxybutylbenzene;methane
CID 158099440
carbanide;4-heptoxybutylbenzene
CID 158344773
3-decoxypropylbenzene
CID 150065328
14-propoxytetradecylbenzene
CID 126562833
6-propoxyhexylbenzene
CID 54255597
8-(8-phenyloctoxy)octylbenzene
CID 56628536
4-heptoxybutylbenzene;octane;4-phenylbutan-1-ol
CID 157211945
4-heptoxybutylbenzene;methane;octane;4-phenylbutan-1-ol
CID 157096254
6-ethoxyhexylbenzene
CID 54300935
2-pentoxyethylbenzene
CID 3022447

Frequently Asked Questions

What is the IUPAC name of 10-butoxydecylbenzene?
The IUPAC name of 10-butoxydecylbenzene (CID 151496754) is 10-butoxydecylbenzene.
What is the SMILES notation for 10-butoxydecylbenzene?
The canonical SMILES for 10-butoxydecylbenzene is CCCCOCCCCCCCCCCc1ccccc1.
What is the InChIKey of 10-butoxydecylbenzene?
The InChIKey is PPOPLFCLOQCASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-2-3-18-21-19-14-9-7-5-4-6-8-11-15-20-16-12-10-13-17-20/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3.
What are the key properties of 10-butoxydecylbenzene?
10-butoxydecylbenzene has a molecular weight of 290.49 g/mol, XLogP of 6.17, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butoxydecylbenzene is sourced from PubChem (CID 151496754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).