6-benzyldecylbenzene

C23H32 — CID 54156815

IUPAC6-benzyldecylbenzene
SMILESCCCCC(CCCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H32/c1-2-3-13-22(20-23-18-11-6-12-19-23)17-10-5-9-16-21-14-7-4-8-15-21/h4,6-8,11-12,14-15,18-19,22H,2-3,5,9-10,13,16-17,20H2,1H3
InChIKeyJQHVCGHIECBFLR-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.84
Rot. Bonds11

About 6-benzyldecylbenzene

6-benzyldecylbenzene (PubChem CID 54156815) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 6-benzyldecylbenzene.

Molecular Properties

Compound Name6-benzyldecylbenzene
PubChem CID54156815
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name6-benzyldecylbenzene
SMILESCCCCC(CCCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H32/c1-2-3-13-22(20-23-18-11-6-12-19-23)17-10-5-9-16-21-14-7-4-8-15-21/h4,6-8,11-12,14-15,18-19,22H,2-3,5,9-10,13,16-17,20H2,1H3
InChIKeyJQHVCGHIECBFLR-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 22920205
3-benzylpentadecan-1-ol
CID 174933241
3-benzylheptadecan-1-ol
CID 70425860
(3S)-3-benzylheptan-1-ol
CID 15214037
2-benzyloctadecan-1-ol
CID 67814123
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
pentanonacontylbenzene
CID 165359347
octaoctacontylbenzene
CID 165359374
1-nonadecyl-3-[2-[2-(3-nonadecylphenyl)ethyl]tricosyl]benzene
CID 173180979
3-ethylundecylbenzene
CID 101046196

Frequently Asked Questions

What is the IUPAC name of 6-benzyldecylbenzene?
The IUPAC name of 6-benzyldecylbenzene (CID 54156815) is 6-benzyldecylbenzene.
What is the SMILES notation for 6-benzyldecylbenzene?
The canonical SMILES for 6-benzyldecylbenzene is CCCCC(CCCCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 6-benzyldecylbenzene?
The InChIKey is JQHVCGHIECBFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-2-3-13-22(20-23-18-11-6-12-19-23)17-10-5-9-16-21-14-7-4-8-15-21/h4,6-8,11-12,14-15,18-19,22H,2-3,5,9-10,13,16-17,20H2,1H3.
What are the key properties of 6-benzyldecylbenzene?
6-benzyldecylbenzene has a molecular weight of 308.51 g/mol, XLogP of 6.84, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyldecylbenzene is sourced from PubChem (CID 54156815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).