ethane;2-methylpropane;2,2,3,3-tetramethylpentane

C19H48 — CID 145053606

IUPACethane;2-methylpropane;2,2,3,3-tetramethylpentane
SMILESCC.CC.CC.CC(C)C.CCC(C)(C)C(C)(C)C
InChIInChI=1S/C9H20.C4H10.3C2H6/c1-7-9(5,6)8(2,3)4;1-4(2)3;3*1-2/h7H2,1-6H3;4H,1-3H3;3*1-2H3
InChIKeyRJPAOSRSMPHPHI-UHFFFAOYSA-N
MW276.59 g/mol
LogP8.21
Rot. Bonds1

About ethane;2-methylpropane;2,2,3,3-tetramethylpentane

ethane;2-methylpropane;2,2,3,3-tetramethylpentane (PubChem CID 145053606) has the molecular formula C19H48 and a molecular weight of 276.59 g/mol. Its IUPAC name is ethane;2-methylpropane;2,2,3,3-tetramethylpentane.

Molecular Properties

Compound Nameethane;2-methylpropane;2,2,3,3-tetramethylpentane
PubChem CID145053606
Molecular FormulaC19H48
Molecular Weight276.59 g/mol
Exact Mass276.38
IUPAC Nameethane;2-methylpropane;2,2,3,3-tetramethylpentane
SMILESCC.CC.CC.CC(C)C.CCC(C)(C)C(C)(C)C
InChIInChI=1S/C9H20.C4H10.3C2H6/c1-7-9(5,6)8(2,3)4;1-4(2)3;3*1-2/h7H2,1-6H3;4H,1-3H3;3*1-2H3
InChIKeyRJPAOSRSMPHPHI-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.59
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;2,2,3,3-tetramethylpentane?
The IUPAC name of ethane;2-methylpropane;2,2,3,3-tetramethylpentane (CID 145053606) is ethane;2-methylpropane;2,2,3,3-tetramethylpentane.
What is the SMILES notation for ethane;2-methylpropane;2,2,3,3-tetramethylpentane?
The canonical SMILES for ethane;2-methylpropane;2,2,3,3-tetramethylpentane is CC.CC.CC.CC(C)C.CCC(C)(C)C(C)(C)C.
What is the InChIKey of ethane;2-methylpropane;2,2,3,3-tetramethylpentane?
The InChIKey is RJPAOSRSMPHPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C4H10.3C2H6/c1-7-9(5,6)8(2,3)4;1-4(2)3;3*1-2/h7H2,1-6H3;4H,1-3H3;3*1-2H3.
What are the key properties of ethane;2-methylpropane;2,2,3,3-tetramethylpentane?
ethane;2-methylpropane;2,2,3,3-tetramethylpentane has a molecular weight of 276.59 g/mol, XLogP of 8.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;2,2,3,3-tetramethylpentane is sourced from PubChem (CID 145053606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).