2-methoxy-3,4,5-trimethylhexane

C10H22O — CID 123147502

IUPAC2-methoxy-3,4,5-trimethylhexane
SMILESCOC(C)C(C)C(C)C(C)C
InChIInChI=1S/C10H22O/c1-7(2)8(3)9(4)10(5)11-6/h7-10H,1-6H3
InChIKeyXYPQHWWUKNZRBW-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.95
Rot. Bonds4

About 2-methoxy-3,4,5-trimethylhexane

2-methoxy-3,4,5-trimethylhexane (PubChem CID 123147502) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2-methoxy-3,4,5-trimethylhexane.

Molecular Properties

Compound Name2-methoxy-3,4,5-trimethylhexane
PubChem CID123147502
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2-methoxy-3,4,5-trimethylhexane
SMILESCOC(C)C(C)C(C)C(C)C
InChIInChI=1S/C10H22O/c1-7(2)8(3)9(4)10(5)11-6/h7-10H,1-6H3
InChIKeyXYPQHWWUKNZRBW-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)
CID 159672418
1,1,3-trimethoxy-2-methylbutane
CID 11275184
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
(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane
CID 142521476
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-heptacosamethylnonacosane;methane
CID 160593836
2,3,4-trimethoxypentane
CID 20754115
2-methoxypropane-1,1-dithiol
CID 57186055
2-chloro-3-methoxybutane
CID 23424437
N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904336
1,2-dimethoxypropan-1-amine
CID 23227937
2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane
CID 87233502
tetrakis(3-methoxybutan-2-ol);titanium
CID 87400575

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4,5-trimethylhexane?
The IUPAC name of 2-methoxy-3,4,5-trimethylhexane (CID 123147502) is 2-methoxy-3,4,5-trimethylhexane.
What is the SMILES notation for 2-methoxy-3,4,5-trimethylhexane?
The canonical SMILES for 2-methoxy-3,4,5-trimethylhexane is COC(C)C(C)C(C)C(C)C.
What is the InChIKey of 2-methoxy-3,4,5-trimethylhexane?
The InChIKey is XYPQHWWUKNZRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-7(2)8(3)9(4)10(5)11-6/h7-10H,1-6H3.
What are the key properties of 2-methoxy-3,4,5-trimethylhexane?
2-methoxy-3,4,5-trimethylhexane has a molecular weight of 158.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4,5-trimethylhexane is sourced from PubChem (CID 123147502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).