5-ethyl-2,3,4-trimethylheptane

C12H26 — CID 53428868

IUPAC5-ethyl-2,3,4-trimethylheptane
SMILESCCC(CC)C(C)C(C)C(C)C
InChIInChI=1S/C12H26/c1-7-12(8-2)11(6)10(5)9(3)4/h9-12H,7-8H2,1-6H3
InChIKeyURFFXJPJMCMXFR-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.35
Rot. Bonds5

About 5-ethyl-2,3,4-trimethylheptane

5-ethyl-2,3,4-trimethylheptane (PubChem CID 53428868) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 5-ethyl-2,3,4-trimethylheptane.

Molecular Properties

Compound Name5-ethyl-2,3,4-trimethylheptane
PubChem CID53428868
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name5-ethyl-2,3,4-trimethylheptane
SMILESCCC(CC)C(C)C(C)C(C)C
InChIInChI=1S/C12H26/c1-7-12(8-2)11(6)10(5)9(3)4/h9-12H,7-8H2,1-6H3
InChIKeyURFFXJPJMCMXFR-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethyl-2,3,4,7-tetramethyloctane
CID 57492474
5-ethyl-3,4-dimethylheptan-2-amine
CID 146192977
7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane
CID 123419631
3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane
CID 165016406
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
3-(2-ethyl-3,4,5-trimethylhexoxy)propan-1-ol
CID 122497763
7-ethyl-2,3,4,8-tetramethylnonane
CID 123811114
(4S)-2,3,4-trimethylhexane
CID 58359072
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
CID 123517328
4-ethyl-2,3,6,8-tetramethylnonane
CID 123780298
(4R)-3-ethyl-4-methylhexane
CID 59954491
(3R)-3-(fluoromethyl)-2-methylpentane
CID 88580229

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3,4-trimethylheptane?
The IUPAC name of 5-ethyl-2,3,4-trimethylheptane (CID 53428868) is 5-ethyl-2,3,4-trimethylheptane.
What is the SMILES notation for 5-ethyl-2,3,4-trimethylheptane?
The canonical SMILES for 5-ethyl-2,3,4-trimethylheptane is CCC(CC)C(C)C(C)C(C)C.
What is the InChIKey of 5-ethyl-2,3,4-trimethylheptane?
The InChIKey is URFFXJPJMCMXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-7-12(8-2)11(6)10(5)9(3)4/h9-12H,7-8H2,1-6H3.
What are the key properties of 5-ethyl-2,3,4-trimethylheptane?
5-ethyl-2,3,4-trimethylheptane has a molecular weight of 170.34 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3,4-trimethylheptane is sourced from PubChem (CID 53428868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).