butane;ethane;naphthalene

C18H30 — CID 54028407

IUPACbutane;ethane;naphthalene
SMILESCC.CC.CCCC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H10.2C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-4-2;2*1-2/h1-8H;3-4H2,1-2H3;2*1-2H3
InChIKeyLDVPGWAYSIEKJS-UHFFFAOYSA-N
MW246.44 g/mol
LogP6.70
Rot. Bonds1

About butane;ethane;naphthalene

butane;ethane;naphthalene (PubChem CID 54028407) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is butane;ethane;naphthalene.

Molecular Properties

Compound Namebutane;ethane;naphthalene
PubChem CID54028407
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Namebutane;ethane;naphthalene
SMILESCC.CC.CCCC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H10.2C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-4-2;2*1-2/h1-8H;3-4H2,1-2H3;2*1-2H3
InChIKeyLDVPGWAYSIEKJS-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;naphthalene?
The IUPAC name of butane;ethane;naphthalene (CID 54028407) is butane;ethane;naphthalene.
What is the SMILES notation for butane;ethane;naphthalene?
The canonical SMILES for butane;ethane;naphthalene is CC.CC.CCCC.c1ccc2ccccc2c1.
What is the InChIKey of butane;ethane;naphthalene?
The InChIKey is LDVPGWAYSIEKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C4H10.2C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-4-2;2*1-2/h1-8H;3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;ethane;naphthalene?
butane;ethane;naphthalene has a molecular weight of 246.44 g/mol, XLogP of 6.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;naphthalene is sourced from PubChem (CID 54028407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).