3-methoxy-3-(methoxymethyl)-2-methylhexane

C10H22O2 — CID 23384968

IUPAC3-methoxy-3-(methoxymethyl)-2-methylhexane
SMILESCCCC(COC)(OC)C(C)C
InChIInChI=1S/C10H22O2/c1-6-7-10(12-5,8-11-4)9(2)3/h9H,6-8H2,1-5H3
InChIKeyCDJHWKJMYGLSKB-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.47
Rot. Bonds6

About 3-methoxy-3-(methoxymethyl)-2-methylhexane

3-methoxy-3-(methoxymethyl)-2-methylhexane (PubChem CID 23384968) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-methoxy-3-(methoxymethyl)-2-methylhexane.

Molecular Properties

Compound Name3-methoxy-3-(methoxymethyl)-2-methylhexane
PubChem CID23384968
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-methoxy-3-(methoxymethyl)-2-methylhexane
SMILESCCCC(COC)(OC)C(C)C
InChIInChI=1S/C10H22O2/c1-6-7-10(12-5,8-11-4)9(2)3/h9H,6-8H2,1-5H3
InChIKeyCDJHWKJMYGLSKB-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Diethyl-3,4-dimethoxyhexane
CID 145571
(2-Methoxy-2-propan-2-ylpentyl) hypofluorite
CID 156694278
1-Methoxy-1-(methoxymethyl)cyclopentane
CID 59169329
3-Methoxy-3-propan-2-yloxolane
CID 142588010
1-(2-Methoxyethoxy)-3-propan-2-ylcyclobutane
CID 168112642
1,2-Dimethoxy-2-methylpentane
CID 13444241
4-Methoxy-4-(1-methoxyethyl)-2,6-dimethylheptane
CID 17810419
2,3-Dimethoxy-5-methylhexane
CID 18667897
3,4-Dimethoxy-2,3,5-trimethylhexane
CID 18716114
3-Ethyl-2-methoxy-2-methylhexane
CID 20533592
3,4-Diethoxy-3-ethylhexane
CID 22991069
2-Methoxy-2-propan-2-ylpentan-1-ol
CID 23384821

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(methoxymethyl)-2-methylhexane?
The IUPAC name of 3-methoxy-3-(methoxymethyl)-2-methylhexane (CID 23384968) is 3-methoxy-3-(methoxymethyl)-2-methylhexane.
What is the SMILES notation for 3-methoxy-3-(methoxymethyl)-2-methylhexane?
The canonical SMILES for 3-methoxy-3-(methoxymethyl)-2-methylhexane is CCCC(COC)(OC)C(C)C.
What is the InChIKey of 3-methoxy-3-(methoxymethyl)-2-methylhexane?
The InChIKey is CDJHWKJMYGLSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-7-10(12-5,8-11-4)9(2)3/h9H,6-8H2,1-5H3.
What are the key properties of 3-methoxy-3-(methoxymethyl)-2-methylhexane?
3-methoxy-3-(methoxymethyl)-2-methylhexane has a molecular weight of 174.28 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(methoxymethyl)-2-methylhexane is sourced from PubChem (CID 23384968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).