butane;ethane;methylsulfanylmethane;naphthalene

C18H30S — CID 91446490

IUPACbutane;ethane;methylsulfanylmethane;naphthalene
SMILESCC.CCCC.CSC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H10.C2H6S.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-4-2;1-3-2;1-2/h1-8H;3-4H2,1-2H3;1-2H3;1-2H3
InChIKeyJDZQZSAZAAXAPE-UHFFFAOYSA-N
MW278.51 g/mol
LogP6.65
Rot. Bonds1

About butane;ethane;methylsulfanylmethane;naphthalene

butane;ethane;methylsulfanylmethane;naphthalene (PubChem CID 91446490) has the molecular formula C18H30S and a molecular weight of 278.51 g/mol. Its IUPAC name is butane;ethane;methylsulfanylmethane;naphthalene.

Molecular Properties

Compound Namebutane;ethane;methylsulfanylmethane;naphthalene
PubChem CID91446490
Molecular FormulaC18H30S
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Namebutane;ethane;methylsulfanylmethane;naphthalene
SMILESCC.CCCC.CSC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H10.C2H6S.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-4-2;1-3-2;1-2/h1-8H;3-4H2,1-2H3;1-2H3;1-2H3
InChIKeyJDZQZSAZAAXAPE-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Naphthalene
CID 931
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387
1,6-Dimethylnaphthalene
CID 11328
1,4-Dimethylnaphthalene
CID 11304
1,2-Dimethylnaphthalene
CID 11317
2,6-Diisopropylnaphthalene
CID 32241
1,7-Dimethylnaphthalene
CID 11326
1,4,5-Trimethylnaphthalene
CID 16478
2-Ethylnaphthalene
CID 13652

Frequently Asked Questions

What is the IUPAC name of butane;ethane;methylsulfanylmethane;naphthalene?
The IUPAC name of butane;ethane;methylsulfanylmethane;naphthalene (CID 91446490) is butane;ethane;methylsulfanylmethane;naphthalene.
What is the SMILES notation for butane;ethane;methylsulfanylmethane;naphthalene?
The canonical SMILES for butane;ethane;methylsulfanylmethane;naphthalene is CC.CCCC.CSC.c1ccc2ccccc2c1.
What is the InChIKey of butane;ethane;methylsulfanylmethane;naphthalene?
The InChIKey is JDZQZSAZAAXAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C4H10.C2H6S.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-4-2;1-3-2;1-2/h1-8H;3-4H2,1-2H3;1-2H3;1-2H3.
What are the key properties of butane;ethane;methylsulfanylmethane;naphthalene?
butane;ethane;methylsulfanylmethane;naphthalene has a molecular weight of 278.51 g/mol, XLogP of 6.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;methylsulfanylmethane;naphthalene is sourced from PubChem (CID 91446490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).