(3S)-3-(methoxymethyl)-2,5-dimethylhexane

C10H22O — CID 121338192

IUPAC(3S)-3-(methoxymethyl)-2,5-dimethylhexane
SMILESCOC[C@@H](CC(C)C)C(C)C
InChIInChI=1S/C10H22O/c1-8(2)6-10(7-11-5)9(3)4/h8-10H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyHBYATWUQDMVDPS-SNVBAGLBSA-N
MW158.28 g/mol
LogP2.95
Rot. Bonds5

About (3S)-3-(methoxymethyl)-2,5-dimethylhexane

(3S)-3-(methoxymethyl)-2,5-dimethylhexane (PubChem CID 121338192) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-2,5-dimethylhexane.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-2,5-dimethylhexane
PubChem CID121338192
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(3S)-3-(methoxymethyl)-2,5-dimethylhexane
SMILESCOC[C@@H](CC(C)C)C(C)C
InChIInChI=1S/C10H22O/c1-8(2)6-10(7-11-5)9(3)4/h8-10H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyHBYATWUQDMVDPS-SNVBAGLBSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

(3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane
CID 87692911
(3S)-3-(methoxymethyl)-2-methylpentane
CID 171658474
ethane;3-(methoxymethyl)-2-methylpentane
CID 142448255
1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
CID 59866935
ethane;2-fluoro-1-methoxy-4-methylpentane
CID 170593191
4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane
CID 141015062
1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane
CID 170161342
1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol
CID 160861863
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
1-bromo-2-(methoxymethyl)-4-methylpentane
CID 103985154
3,4-bis(methoxymethyl)hexane
CID 142709823
2-methyl-4-propan-2-ylheptane
CID 21201044

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-2,5-dimethylhexane?
The IUPAC name of (3S)-3-(methoxymethyl)-2,5-dimethylhexane (CID 121338192) is (3S)-3-(methoxymethyl)-2,5-dimethylhexane.
What is the SMILES notation for (3S)-3-(methoxymethyl)-2,5-dimethylhexane?
The canonical SMILES for (3S)-3-(methoxymethyl)-2,5-dimethylhexane is COC[C@@H](CC(C)C)C(C)C.
What is the InChIKey of (3S)-3-(methoxymethyl)-2,5-dimethylhexane?
The InChIKey is HBYATWUQDMVDPS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22O/c1-8(2)6-10(7-11-5)9(3)4/h8-10H,6-7H2,1-5H3/t10-/m1/s1.
What are the key properties of (3S)-3-(methoxymethyl)-2,5-dimethylhexane?
(3S)-3-(methoxymethyl)-2,5-dimethylhexane has a molecular weight of 158.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-2,5-dimethylhexane is sourced from PubChem (CID 121338192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).