butane;ethane;naphthalene

C20H34 — CID 91209744

IUPACbutane;ethane;naphthalene
SMILESCC.CCCC.CCCC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2C4H10.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-3-4-2;1-2/h1-8H;2*3-4H2,1-2H3;1-2H3
InChIKeyFLWNSOYMZRQZKV-UHFFFAOYSA-N
MW274.49 g/mol
LogP7.48
Rot. Bonds2

About butane;ethane;naphthalene

butane;ethane;naphthalene (PubChem CID 91209744) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is butane;ethane;naphthalene.

Molecular Properties

Compound Namebutane;ethane;naphthalene
PubChem CID91209744
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Namebutane;ethane;naphthalene
SMILESCC.CCCC.CCCC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2C4H10.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-3-4-2;1-2/h1-8H;2*3-4H2,1-2H3;1-2H3
InChIKeyFLWNSOYMZRQZKV-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 57.48
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 91209744) is butane;ethane;naphthalene.
What is the SMILES notation for butane;ethane;naphthalene?
The canonical SMILES for butane;ethane;naphthalene is CC.CCCC.CCCC.c1ccc2ccccc2c1.
What is the InChIKey of butane;ethane;naphthalene?
The InChIKey is FLWNSOYMZRQZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C4H10.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-3-4-2;1-2/h1-8H;2*3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;naphthalene?
butane;ethane;naphthalene has a molecular weight of 274.49 g/mol, XLogP of 7.48, 2 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 91209744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).