benzene;ethane;methanol;naphthalene

C28H54O4 — CID 159824016

IUPACbenzene;ethane;methanol;naphthalene
SMILESCC.CC.CC.CC.CO.CO.CO.CO.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C10H8.C6H6.4C2H6.4CH4O/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;8*1-2/h1-8H;1-6H;4*1-2H3;4*2H,1H3
InChIKeyNMPGCTOQGCGVDV-UHFFFAOYSA-N
MW454.74 g/mol
LogP7.07
Rot. Bonds

About benzene;ethane;methanol;naphthalene

benzene;ethane;methanol;naphthalene (PubChem CID 159824016) has the molecular formula C28H54O4 and a molecular weight of 454.74 g/mol. Its IUPAC name is benzene;ethane;methanol;naphthalene.

Molecular Properties

Compound Namebenzene;ethane;methanol;naphthalene
PubChem CID159824016
Molecular FormulaC28H54O4
Molecular Weight454.74 g/mol
Exact Mass454.40
IUPAC Namebenzene;ethane;methanol;naphthalene
SMILESCC.CC.CC.CC.CO.CO.CO.CO.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C10H8.C6H6.4C2H6.4CH4O/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;8*1-2/h1-8H;1-6H;4*1-2H3;4*2H,1H3
InChIKeyNMPGCTOQGCGVDV-UHFFFAOYSA-N
XLogP7.07
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 57.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methanol;naphthalene?
The IUPAC name of benzene;ethane;methanol;naphthalene (CID 159824016) is benzene;ethane;methanol;naphthalene.
What is the SMILES notation for benzene;ethane;methanol;naphthalene?
The canonical SMILES for benzene;ethane;methanol;naphthalene is CC.CC.CC.CC.CO.CO.CO.CO.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;ethane;methanol;naphthalene?
The InChIKey is NMPGCTOQGCGVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C6H6.4C2H6.4CH4O/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;8*1-2/h1-8H;1-6H;4*1-2H3;4*2H,1H3.
What are the key properties of benzene;ethane;methanol;naphthalene?
benzene;ethane;methanol;naphthalene has a molecular weight of 454.74 g/mol, XLogP of 7.07, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methanol;naphthalene is sourced from PubChem (CID 159824016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).