benzene;ethane;methane;propane

C19H44 — CID 157448191

IUPACbenzene;ethane;methane;propane
SMILESC.C.CC.CCC.CCC.CCC.c1ccccc1
InChIInChI=1S/C6H6.3C3H8.C2H6.2CH4/c1-2-4-6-5-3-1;3*1-3-2;1-2;;/h1-6H;3*3H2,1-2H3;1-2H3;2*1H4
InChIKeyBSMBIOIONDZHDS-UHFFFAOYSA-N
MW272.56 g/mol
LogP8.23
Rot. Bonds

About benzene;ethane;methane;propane

benzene;ethane;methane;propane (PubChem CID 157448191) has the molecular formula C19H44 and a molecular weight of 272.56 g/mol. Its IUPAC name is benzene;ethane;methane;propane.

Molecular Properties

Compound Namebenzene;ethane;methane;propane
PubChem CID157448191
Molecular FormulaC19H44
Molecular Weight272.56 g/mol
Exact Mass272.34
IUPAC Namebenzene;ethane;methane;propane
SMILESC.C.CC.CCC.CCC.CCC.c1ccccc1
InChIInChI=1S/C6H6.3C3H8.C2H6.2CH4/c1-2-4-6-5-3-1;3*1-3-2;1-2;;/h1-6H;3*3H2,1-2H3;1-2H3;2*1H4
InChIKeyBSMBIOIONDZHDS-UHFFFAOYSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.56
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Benzene
CID 241
Benzene-D6
CID 71601
1,1'-(1,2-Phenylene)bis(1,1-dimethylarsine)
CID 83261
Phenyllithium
CID 53629015
1,4-Bis(trimethylsilyl)benzene
CID 25771
Tributylphenyltin
CID 607632
Dibutyldiphenylstannane
CID 80932
1,4-Phenylenebis(dimethylsilane)
CID 6328729
Dimethylphenylphosphine
CID 69597
Phenyltrimethylsilane
CID 69849
Phenyltriethylphosphonium iodide
CID 102363
Diethylphenylphosphine
CID 74149

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methane;propane?
The IUPAC name of benzene;ethane;methane;propane (CID 157448191) is benzene;ethane;methane;propane.
What is the SMILES notation for benzene;ethane;methane;propane?
The canonical SMILES for benzene;ethane;methane;propane is C.C.CC.CCC.CCC.CCC.c1ccccc1.
What is the InChIKey of benzene;ethane;methane;propane?
The InChIKey is BSMBIOIONDZHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.3C3H8.C2H6.2CH4/c1-2-4-6-5-3-1;3*1-3-2;1-2;;/h1-6H;3*3H2,1-2H3;1-2H3;2*1H4.
What are the key properties of benzene;ethane;methane;propane?
benzene;ethane;methane;propane has a molecular weight of 272.56 g/mol, XLogP of 8.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methane;propane is sourced from PubChem (CID 157448191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).