ethane;hexane;2-methylpropane

C12H30 — CID 143834457

IUPACethane;hexane;2-methylpropane
SMILESCC.CC(C)C.CCCCCC
InChIInChI=1S/C6H14.C4H10.C2H6/c1-3-5-6-4-2;1-4(2)3;1-2/h3-6H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyNTFWBMMTCDRKJJ-UHFFFAOYSA-N
MW174.37 g/mol
LogP5.28
Rot. Bonds3

About ethane;hexane;2-methylpropane

ethane;hexane;2-methylpropane (PubChem CID 143834457) has the molecular formula C12H30 and a molecular weight of 174.37 g/mol. Its IUPAC name is ethane;hexane;2-methylpropane.

Molecular Properties

Compound Nameethane;hexane;2-methylpropane
PubChem CID143834457
Molecular FormulaC12H30
Molecular Weight174.37 g/mol
Exact Mass174.23
IUPAC Nameethane;hexane;2-methylpropane
SMILESCC.CC(C)C.CCCCCC
InChIInChI=1S/C6H14.C4H10.C2H6/c1-3-5-6-4-2;1-4(2)3;1-2/h3-6H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyNTFWBMMTCDRKJJ-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500174.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;hexane;2-methylpropane?
The IUPAC name of ethane;hexane;2-methylpropane (CID 143834457) is ethane;hexane;2-methylpropane.
What is the SMILES notation for ethane;hexane;2-methylpropane?
The canonical SMILES for ethane;hexane;2-methylpropane is CC.CC(C)C.CCCCCC.
What is the InChIKey of ethane;hexane;2-methylpropane?
The InChIKey is NTFWBMMTCDRKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H10.C2H6/c1-3-5-6-4-2;1-4(2)3;1-2/h3-6H2,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;hexane;2-methylpropane?
ethane;hexane;2-methylpropane has a molecular weight of 174.37 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hexane;2-methylpropane is sourced from PubChem (CID 143834457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).