benzene;ethane;methane;methanol;propane

C34H68O2 — CID 159818813

IUPACbenzene;ethane;methane;methanol;propane
SMILESC.CC.CC.CC.CC.CC.CCC.CO.CO.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.C3H8.5C2H6.2CH4O.CH4/c3*1-2-4-6-5-3-1;1-3-2;7*1-2;/h3*1-6H;3H2,1-2H3;5*1-2H3;2*2H,1H3;1H4
InChIKeyNLYUCHXEEDROQR-UHFFFAOYSA-N
MW508.92 g/mol
LogP11.46
Rot. Bonds

About benzene;ethane;methane;methanol;propane

benzene;ethane;methane;methanol;propane (PubChem CID 159818813) has the molecular formula C34H68O2 and a molecular weight of 508.92 g/mol. Its IUPAC name is benzene;ethane;methane;methanol;propane.

Molecular Properties

Compound Namebenzene;ethane;methane;methanol;propane
PubChem CID159818813
Molecular FormulaC34H68O2
Molecular Weight508.92 g/mol
Exact Mass508.52
IUPAC Namebenzene;ethane;methane;methanol;propane
SMILESC.CC.CC.CC.CC.CC.CCC.CO.CO.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.C3H8.5C2H6.2CH4O.CH4/c3*1-2-4-6-5-3-1;1-3-2;7*1-2;/h3*1-6H;3H2,1-2H3;5*1-2H3;2*2H,1H3;1H4
InChIKeyNLYUCHXEEDROQR-UHFFFAOYSA-N
XLogP11.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.92
LogP ≤ 511.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Triphenyltin hydroxide
CID 9907219
Triphenyltin oxide
CID 6327657
(Methoxymethyl)triphenylphosphonium chloride
CID 2723799
(Hydroxymethyl)triphenylphosphonium chloride
CID 3083895
2-(Triphenylphosphoranyl)ethanol
CID 494065
Borinic acid, diphenyl-, ((hydroxymethyl)phenylphosphinothioyl)methyl ester
CID 3058153
Tetraphenylantimony(V) methoxide
CID 16689431
Triphenylantimony dihydroxide
CID 97351
Triphenylplumbanol
CID 6328765
(Difluoro-methoxy-diphenyl-lambda6-tellanyl)benzene
CID 14250100
Triphenylgermyl--water (1/1)
CID 6330566
Hydroxymethyl(triphenyl)phosphanium
CID 3083896

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methane;methanol;propane?
The IUPAC name of benzene;ethane;methane;methanol;propane (CID 159818813) is benzene;ethane;methane;methanol;propane.
What is the SMILES notation for benzene;ethane;methane;methanol;propane?
The canonical SMILES for benzene;ethane;methane;methanol;propane is C.CC.CC.CC.CC.CC.CCC.CO.CO.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;methane;methanol;propane?
The InChIKey is NLYUCHXEEDROQR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6.C3H8.5C2H6.2CH4O.CH4/c3*1-2-4-6-5-3-1;1-3-2;7*1-2;/h3*1-6H;3H2,1-2H3;5*1-2H3;2*2H,1H3;1H4.
What are the key properties of benzene;ethane;methane;methanol;propane?
benzene;ethane;methane;methanol;propane has a molecular weight of 508.92 g/mol, XLogP of 11.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methane;methanol;propane is sourced from PubChem (CID 159818813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).