benzene;ethane;methanol;propane

C14H30O — CID 90963063

IUPACbenzene;ethane;methanol;propane
SMILESCC.CC.CCC.CO.c1ccccc1
InChIInChI=1S/C6H6.C3H8.2C2H6.CH4O/c1-2-4-6-5-3-1;1-3-2;3*1-2/h1-6H;3H2,1-2H3;2*1-2H3;2H,1H3
InChIKeyKXUCJFWBCFTITA-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.76
Rot. Bonds

About benzene;ethane;methanol;propane

benzene;ethane;methanol;propane (PubChem CID 90963063) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is benzene;ethane;methanol;propane.

Molecular Properties

Compound Namebenzene;ethane;methanol;propane
PubChem CID90963063
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Namebenzene;ethane;methanol;propane
SMILESCC.CC.CCC.CO.c1ccccc1
InChIInChI=1S/C6H6.C3H8.2C2H6.CH4O/c1-2-4-6-5-3-1;1-3-2;3*1-2/h1-6H;3H2,1-2H3;2*1-2H3;2H,1H3
InChIKeyKXUCJFWBCFTITA-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Methanol, (phenylphosphinidene)bis-
CID 201037
Stannane, trimethylphenyl-
CID 123095
Phenyl butyl borinic acid
CID 20836008
Formocresol
CID 156614093
Phenyltrimethylgermane
CID 137121
[Tert-butyl(phenyl)phosphoryl]methanol
CID 793449
1-Phenylselanylpropan-2-ol
CID 11183499
Bis(hydroxymethyl)(methyl)phenylphosphanium iodide
CID 3070049
Methanol, hydrolysis products with trichlorohexylsilane and trichlorophenylsilane
CID 91668068
[Dimethyl(phenyl)silyl]methanol
CID 4613399
Plumbane, trimethylphenyl-
CID 123380
Boronic acid, phenyl-, dimethyl ester
CID 139471

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methanol;propane?
The IUPAC name of benzene;ethane;methanol;propane (CID 90963063) is benzene;ethane;methanol;propane.
What is the SMILES notation for benzene;ethane;methanol;propane?
The canonical SMILES for benzene;ethane;methanol;propane is CC.CC.CCC.CO.c1ccccc1.
What is the InChIKey of benzene;ethane;methanol;propane?
The InChIKey is KXUCJFWBCFTITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H8.2C2H6.CH4O/c1-2-4-6-5-3-1;1-3-2;3*1-2/h1-6H;3H2,1-2H3;2*1-2H3;2H,1H3.
What are the key properties of benzene;ethane;methanol;propane?
benzene;ethane;methanol;propane has a molecular weight of 214.39 g/mol, XLogP of 4.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methanol;propane is sourced from PubChem (CID 90963063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).