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

C10H22O2 — CID 59039440

IUPAC(3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane
SMILESCCC[C@](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/t10-/m1/s1
InChIKeyCDJHWKJMYGLSKB-SNVBAGLBSA-N
MW174.28 g/mol
LogP2.47
Rot. Bonds6

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

(3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane (PubChem CID 59039440) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is (3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane.

Molecular Properties

Compound Name(3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane
PubChem CID59039440
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name(3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane
SMILESCCC[C@](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/t10-/m1/s1
InChIKeyCDJHWKJMYGLSKB-SNVBAGLBSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane?
The IUPAC name of (3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane (CID 59039440) is (3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane.
What is the SMILES notation for (3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane?
The canonical SMILES for (3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane is CCC[C@](COC)(OC)C(C)C.
What is the InChIKey of (3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane?
The InChIKey is CDJHWKJMYGLSKB-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of (3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane?
(3S)-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 (3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane is sourced from PubChem (CID 59039440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).