ethane;methane;2-methylheptane;propane

C16H42 — CID 143683767

IUPACethane;methane;2-methylheptane;propane
SMILESC.CC.CC.CCC.CCCCCC(C)C
InChIInChI=1S/C8H18.C3H8.2C2H6.CH4/c1-4-5-6-7-8(2)3;1-3-2;2*1-2;/h8H,4-7H2,1-3H3;3H2,1-2H3;2*1-2H3;1H4
InChIKeyJACUQKVXRZVFRS-UHFFFAOYSA-N
MW234.51 g/mol
LogP7.33
Rot. Bonds4

About ethane;methane;2-methylheptane;propane

ethane;methane;2-methylheptane;propane (PubChem CID 143683767) has the molecular formula C16H42 and a molecular weight of 234.51 g/mol. Its IUPAC name is ethane;methane;2-methylheptane;propane.

Molecular Properties

Compound Nameethane;methane;2-methylheptane;propane
PubChem CID143683767
Molecular FormulaC16H42
Molecular Weight234.51 g/mol
Exact Mass234.33
IUPAC Nameethane;methane;2-methylheptane;propane
SMILESC.CC.CC.CCC.CCCCCC(C)C
InChIInChI=1S/C8H18.C3H8.2C2H6.CH4/c1-4-5-6-7-8(2)3;1-3-2;2*1-2;/h8H,4-7H2,1-3H3;3H2,1-2H3;2*1-2H3;1H4
InChIKeyJACUQKVXRZVFRS-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.51
LogP ≤ 57.33
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

bis(2-methylheptane);propane
CID 158714851
methane;2-methylicosane
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ethane;2-methyloctane;pentane
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2-methyltetratriacontane
CID 14275207
mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
λ2-plumbane;2-methylheptane
CID 175297432
ethane;hexane;2-methylhexane
CID 142051007
ethane;2-methylhexane;propane
CID 144516512
cobalt;2-methylheptane
CID 175521472
2-methyloctacosane
CID 519147

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylheptane;propane?
The IUPAC name of ethane;methane;2-methylheptane;propane (CID 143683767) is ethane;methane;2-methylheptane;propane.
What is the SMILES notation for ethane;methane;2-methylheptane;propane?
The canonical SMILES for ethane;methane;2-methylheptane;propane is C.CC.CC.CCC.CCCCCC(C)C.
What is the InChIKey of ethane;methane;2-methylheptane;propane?
The InChIKey is JACUQKVXRZVFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C3H8.2C2H6.CH4/c1-4-5-6-7-8(2)3;1-3-2;2*1-2;/h8H,4-7H2,1-3H3;3H2,1-2H3;2*1-2H3;1H4.
What are the key properties of ethane;methane;2-methylheptane;propane?
ethane;methane;2-methylheptane;propane has a molecular weight of 234.51 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methylheptane;propane is sourced from PubChem (CID 143683767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).