4-ethyl-2-methylheptane;methane

C12H30 — CID 160575103

IUPAC4-ethyl-2-methylheptane;methane
SMILESC.C.CCCC(CC)CC(C)C
InChIInChI=1S/C10H22.2CH4/c1-5-7-10(6-2)8-9(3)4;;/h9-10H,5-8H2,1-4H3;2*1H4
InChIKeyRBASAKHBRYFLCH-UHFFFAOYSA-N
MW174.37 g/mol
LogP5.13
Rot. Bonds5

About 4-ethyl-2-methylheptane;methane

4-ethyl-2-methylheptane;methane (PubChem CID 160575103) has the molecular formula C12H30 and a molecular weight of 174.37 g/mol. Its IUPAC name is 4-ethyl-2-methylheptane;methane.

Molecular Properties

Compound Name4-ethyl-2-methylheptane;methane
PubChem CID160575103
Molecular FormulaC12H30
Molecular Weight174.37 g/mol
Exact Mass174.23
IUPAC Name4-ethyl-2-methylheptane;methane
SMILESC.C.CCCC(CC)CC(C)C
InChIInChI=1S/C10H22.2CH4/c1-5-7-10(6-2)8-9(3)4;;/h9-10H,5-8H2,1-4H3;2*1H4
InChIKeyRBASAKHBRYFLCH-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500174.37
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(6S)-6-ethyl-2,4-dimethylnonane
CID 144657446
4-ethyl-2,7-dimethyloctane
CID 53423923
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
4-ethylheptane;methane
CID 143165373
4-ethyl-2-methyldecane
CID 19893744
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
3,5-diethyl-2-methyloctane
CID 57491216
2,4-dimethyl-6-propylnonane
CID 57492214
6-butan-2-yl-4-ethyl-2,7-dimethyldecane
CID 57320369
5-ethyl-3-methyloctane-1,1-diol
CID 175418461

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylheptane;methane?
The IUPAC name of 4-ethyl-2-methylheptane;methane (CID 160575103) is 4-ethyl-2-methylheptane;methane.
What is the SMILES notation for 4-ethyl-2-methylheptane;methane?
The canonical SMILES for 4-ethyl-2-methylheptane;methane is C.C.CCCC(CC)CC(C)C.
What is the InChIKey of 4-ethyl-2-methylheptane;methane?
The InChIKey is RBASAKHBRYFLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.2CH4/c1-5-7-10(6-2)8-9(3)4;;/h9-10H,5-8H2,1-4H3;2*1H4.
What are the key properties of 4-ethyl-2-methylheptane;methane?
4-ethyl-2-methylheptane;methane has a molecular weight of 174.37 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylheptane;methane is sourced from PubChem (CID 160575103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).