ethane;2-methylhexane;propane

C12H30 — CID 144516512

IUPACethane;2-methylhexane;propane
SMILESCC.CCC.CCCCC(C)C
InChIInChI=1S/C7H16.C3H8.C2H6/c1-4-5-6-7(2)3;1-3-2;1-2/h7H,4-6H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyRQNRRADLAXOHNV-UHFFFAOYSA-N
MW174.37 g/mol
LogP5.28
Rot. Bonds3

About ethane;2-methylhexane;propane

ethane;2-methylhexane;propane (PubChem CID 144516512) has the molecular formula C12H30 and a molecular weight of 174.37 g/mol. Its IUPAC name is ethane;2-methylhexane;propane.

Molecular Properties

Compound Nameethane;2-methylhexane;propane
PubChem CID144516512
Molecular FormulaC12H30
Molecular Weight174.37 g/mol
Exact Mass174.23
IUPAC Nameethane;2-methylhexane;propane
SMILESCC.CCC.CCCCC(C)C
InChIInChI=1S/C7H16.C3H8.C2H6/c1-4-5-6-7(2)3;1-3-2;1-2/h7H,4-6H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyRQNRRADLAXOHNV-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

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Related Compounds

2-methylhexane;propane
CID 143695748
ethane;hexane;2-methylhexane
CID 142051007
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630
ethane;methane;2-methylheptane;propane
CID 143683767
bis(2-methylheptane);propane
CID 158714851
CID 91544051
CID 91544051
methane;2-methylbutane;2-methylhexane
CID 167665387
ethane;2-methylpentane;pentane;propane
CID 142044971
ethane;2-methyloctane;pentane
CID 144527652
mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylhexane;propane?
The IUPAC name of ethane;2-methylhexane;propane (CID 144516512) is ethane;2-methylhexane;propane.
What is the SMILES notation for ethane;2-methylhexane;propane?
The canonical SMILES for ethane;2-methylhexane;propane is CC.CCC.CCCCC(C)C.
What is the InChIKey of ethane;2-methylhexane;propane?
The InChIKey is RQNRRADLAXOHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C3H8.C2H6/c1-4-5-6-7(2)3;1-3-2;1-2/h7H,4-6H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methylhexane;propane?
ethane;2-methylhexane;propane 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;2-methylhexane;propane is sourced from PubChem (CID 144516512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).