benzene;2,3-dimethylbutane;ethane

C14H26 — CID 159807591

IUPACbenzene;2,3-dimethylbutane;ethane
SMILESCC.CC(C)C(C)C.c1ccccc1
InChIInChI=1S/C6H6.C6H14.C2H6/c1-2-4-6-5-3-1;1-5(2)6(3)4;1-2/h1-6H;5-6H,1-4H3;1-2H3
InChIKeyNKPFRGZGHSBKDF-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.01
Rot. Bonds1

About benzene;2,3-dimethylbutane;ethane

benzene;2,3-dimethylbutane;ethane (PubChem CID 159807591) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is benzene;2,3-dimethylbutane;ethane.

Molecular Properties

Compound Namebenzene;2,3-dimethylbutane;ethane
PubChem CID159807591
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Namebenzene;2,3-dimethylbutane;ethane
SMILESCC.CC(C)C(C)C.c1ccccc1
InChIInChI=1S/C6H6.C6H14.C2H6/c1-2-4-6-5-3-1;1-5(2)6(3)4;1-2/h1-6H;5-6H,1-4H3;1-2H3
InChIKeyNKPFRGZGHSBKDF-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Cumene
CID 7406
trans-beta-METHYLSTYRENE
CID 252325
1,3-Diisopropylbenzene
CID 7450
Sec-Butylbenzene
CID 8680
Bis(1-methylethyl)benzene
CID 11345
Curcumene
CID 92139
1,4-Diisopropylbenzene
CID 7486
beta-Methylstyrene
CID 12500
1,1'-(1,2-Phenylene)bis(1,1-dimethylarsine)
CID 83261
Isobutenylbenzene
CID 13030
p-Isopropyl-alpha-methylstyrene
CID 16952
(-)-alpha-Curcumene
CID 442360

Frequently Asked Questions

What is the IUPAC name of benzene;2,3-dimethylbutane;ethane?
The IUPAC name of benzene;2,3-dimethylbutane;ethane (CID 159807591) is benzene;2,3-dimethylbutane;ethane.
What is the SMILES notation for benzene;2,3-dimethylbutane;ethane?
The canonical SMILES for benzene;2,3-dimethylbutane;ethane is CC.CC(C)C(C)C.c1ccccc1.
What is the InChIKey of benzene;2,3-dimethylbutane;ethane?
The InChIKey is NKPFRGZGHSBKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C6H14.C2H6/c1-2-4-6-5-3-1;1-5(2)6(3)4;1-2/h1-6H;5-6H,1-4H3;1-2H3.
What are the key properties of benzene;2,3-dimethylbutane;ethane?
benzene;2,3-dimethylbutane;ethane has a molecular weight of 194.36 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,3-dimethylbutane;ethane is sourced from PubChem (CID 159807591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).