1,2-dibutylnaphthalene;naphthalene

C28H32 — CID 157292740

IUPAC1,2-dibutylnaphthalene;naphthalene
SMILESCCCCc1ccc2ccccc2c1CCCC.c1ccc2ccccc2c1
InChIInChI=1S/C18H24.C10H8/c1-3-5-9-15-13-14-16-10-7-8-12-18(16)17(15)11-6-4-2;1-2-6-10-8-4-3-7-9(10)5-1/h7-8,10,12-14H,3-6,9,11H2,1-2H3;1-8H
InChIKeyBAZKBKNEBYBAML-UHFFFAOYSA-N
MW368.56 g/mol
LogP8.36
Rot. Bonds6

About 1,2-dibutylnaphthalene;naphthalene

1,2-dibutylnaphthalene;naphthalene (PubChem CID 157292740) has the molecular formula C28H32 and a molecular weight of 368.56 g/mol. Its IUPAC name is 1,2-dibutylnaphthalene;naphthalene.

Molecular Properties

Compound Name1,2-dibutylnaphthalene;naphthalene
PubChem CID157292740
Molecular FormulaC28H32
Molecular Weight368.56 g/mol
Exact Mass368.25
IUPAC Name1,2-dibutylnaphthalene;naphthalene
SMILESCCCCc1ccc2ccccc2c1CCCC.c1ccc2ccccc2c1
InChIInChI=1S/C18H24.C10H8/c1-3-5-9-15-13-14-16-10-7-8-12-18(16)17(15)11-6-4-2;1-2-6-10-8-4-3-7-9(10)5-1/h7-8,10,12-14H,3-6,9,11H2,1-2H3;1-8H
InChIKeyBAZKBKNEBYBAML-UHFFFAOYSA-N
XLogP8.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-didecylnaphthalene
CID 22410831
1,2-di(icosyl)naphthalene
CID 90782201
CID 66933436
CID 66933436
CID 162312155
CID 162312155
2-pentyl-1-propylnaphthalene
CID 173391876
2-hexyl-1-propylnaphthalene
CID 173300538
(1-butylnaphthalen-2-yl)methanamine;hydrochloride
CID 118513377
1-ethyl-2-pentylnaphthalene
CID 173391903
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
(2-pentylnaphthalen-1-yl)methanamine
CID 57296972
1,2,3,4-tetrabutylbenzene
CID 11220391

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutylnaphthalene;naphthalene?
The IUPAC name of 1,2-dibutylnaphthalene;naphthalene (CID 157292740) is 1,2-dibutylnaphthalene;naphthalene.
What is the SMILES notation for 1,2-dibutylnaphthalene;naphthalene?
The canonical SMILES for 1,2-dibutylnaphthalene;naphthalene is CCCCc1ccc2ccccc2c1CCCC.c1ccc2ccccc2c1.
What is the InChIKey of 1,2-dibutylnaphthalene;naphthalene?
The InChIKey is BAZKBKNEBYBAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.C10H8/c1-3-5-9-15-13-14-16-10-7-8-12-18(16)17(15)11-6-4-2;1-2-6-10-8-4-3-7-9(10)5-1/h7-8,10,12-14H,3-6,9,11H2,1-2H3;1-8H.
What are the key properties of 1,2-dibutylnaphthalene;naphthalene?
1,2-dibutylnaphthalene;naphthalene has a molecular weight of 368.56 g/mol, XLogP of 8.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutylnaphthalene;naphthalene is sourced from PubChem (CID 157292740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).