1,2-dibutyl-3-propan-2-ylnaphthalene

C21H30 — CID 154241338

IUPAC1,2-dibutyl-3-propan-2-ylnaphthalene
SMILESCCCCc1c(C(C)C)cc2ccccc2c1CCCC
InChIInChI=1S/C21H30/c1-5-7-12-19-18-14-10-9-11-17(18)15-21(16(3)4)20(19)13-8-6-2/h9-11,14-16H,5-8,12-13H2,1-4H3
InChIKeyGSMNNVFIAVPTHQ-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.65
Rot. Bonds7

About 1,2-dibutyl-3-propan-2-ylnaphthalene

1,2-dibutyl-3-propan-2-ylnaphthalene (PubChem CID 154241338) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1,2-dibutyl-3-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1,2-dibutyl-3-propan-2-ylnaphthalene
PubChem CID154241338
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name1,2-dibutyl-3-propan-2-ylnaphthalene
SMILESCCCCc1c(C(C)C)cc2ccccc2c1CCCC
InChIInChI=1S/C21H30/c1-5-7-12-19-18-14-10-9-11-17(18)15-21(16(3)4)20(19)13-8-6-2/h9-11,14-16H,5-8,12-13H2,1-4H3
InChIKeyGSMNNVFIAVPTHQ-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-dibutyl-3-propan-2-ylnaphthalene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-3-propan-2-ylnaphthalene?
The IUPAC name of 1,2-dibutyl-3-propan-2-ylnaphthalene (CID 154241338) is 1,2-dibutyl-3-propan-2-ylnaphthalene.
What is the SMILES notation for 1,2-dibutyl-3-propan-2-ylnaphthalene?
The canonical SMILES for 1,2-dibutyl-3-propan-2-ylnaphthalene is CCCCc1c(C(C)C)cc2ccccc2c1CCCC.
What is the InChIKey of 1,2-dibutyl-3-propan-2-ylnaphthalene?
The InChIKey is GSMNNVFIAVPTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30/c1-5-7-12-19-18-14-10-9-11-17(18)15-21(16(3)4)20(19)13-8-6-2/h9-11,14-16H,5-8,12-13H2,1-4H3.
What are the key properties of 1,2-dibutyl-3-propan-2-ylnaphthalene?
1,2-dibutyl-3-propan-2-ylnaphthalene has a molecular weight of 282.47 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-3-propan-2-ylnaphthalene is sourced from PubChem (CID 154241338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).