2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane

C32H64 — CID 143278928

IUPAC2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane
SMILESCC.CC(C)=C(C)C.CCCC(CC)CCC.CCCCC.CCc1ccc(C)c(C)c1
InChIInChI=1S/C10H14.C9H20.C6H12.C5H12.C2H6/c1-4-10-6-5-8(2)9(3)7-10;1-4-7-9(6-3)8-5-2;1-5(2)6(3)4;1-3-5-4-2;1-2/h5-7H,4H2,1-3H3;9H,4-8H2,1-3H3;1-4H3;3-5H2,1-2H3;1-2H3
InChIKeyFYEPFNNKIAKIIU-UHFFFAOYSA-N
MW448.86 g/mol
LogP12.06
Rot. Bonds8

About 2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane

2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane (PubChem CID 143278928) has the molecular formula C32H64 and a molecular weight of 448.86 g/mol. Its IUPAC name is 2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane.

Molecular Properties

Compound Name2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane
PubChem CID143278928
Molecular FormulaC32H64
Molecular Weight448.86 g/mol
Exact Mass448.50
IUPAC Name2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane
SMILESCC.CC(C)=C(C)C.CCCC(CC)CCC.CCCCC.CCc1ccc(C)c(C)c1
InChIInChI=1S/C10H14.C9H20.C6H12.C5H12.C2H6/c1-4-10-6-5-8(2)9(3)7-10;1-4-7-9(6-3)8-5-2;1-5(2)6(3)4;1-3-5-4-2;1-2/h5-7H,4H2,1-3H3;9H,4-8H2,1-3H3;1-4H3;3-5H2,1-2H3;1-2H3
InChIKeyFYEPFNNKIAKIIU-UHFFFAOYSA-N
XLogP12.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.86
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane?
The IUPAC name of 2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane (CID 143278928) is 2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane.
What is the SMILES notation for 2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane?
The canonical SMILES for 2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane is CC.CC(C)=C(C)C.CCCC(CC)CCC.CCCCC.CCc1ccc(C)c(C)c1.
What is the InChIKey of 2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane?
The InChIKey is FYEPFNNKIAKIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H20.C6H12.C5H12.C2H6/c1-4-10-6-5-8(2)9(3)7-10;1-4-7-9(6-3)8-5-2;1-5(2)6(3)4;1-3-5-4-2;1-2/h5-7H,4H2,1-3H3;9H,4-8H2,1-3H3;1-4H3;3-5H2,1-2H3;1-2H3.
What are the key properties of 2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane?
2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane has a molecular weight of 448.86 g/mol, XLogP of 12.06, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane is sourced from PubChem (CID 143278928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).