(3S)-3-(methoxymethyl)-2-methylpentane

C8H18O — CID 171658474

IUPAC(3S)-3-(methoxymethyl)-2-methylpentane
SMILESCC[C@H](COC)C(C)C
InChIInChI=1S/C8H18O/c1-5-8(6-9-4)7(2)3/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyIQMKGKDMBSUSIF-MRVPVSSYSA-N
MW130.23 g/mol
LogP2.32
Rot. Bonds4

About (3S)-3-(methoxymethyl)-2-methylpentane

(3S)-3-(methoxymethyl)-2-methylpentane (PubChem CID 171658474) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-2-methylpentane.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-2-methylpentane
PubChem CID171658474
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name(3S)-3-(methoxymethyl)-2-methylpentane
SMILESCC[C@H](COC)C(C)C
InChIInChI=1S/C8H18O/c1-5-8(6-9-4)7(2)3/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyIQMKGKDMBSUSIF-MRVPVSSYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-2-methylpentane?
The IUPAC name of (3S)-3-(methoxymethyl)-2-methylpentane (CID 171658474) is (3S)-3-(methoxymethyl)-2-methylpentane.
What is the SMILES notation for (3S)-3-(methoxymethyl)-2-methylpentane?
The canonical SMILES for (3S)-3-(methoxymethyl)-2-methylpentane is CC[C@H](COC)C(C)C.
What is the InChIKey of (3S)-3-(methoxymethyl)-2-methylpentane?
The InChIKey is IQMKGKDMBSUSIF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18O/c1-5-8(6-9-4)7(2)3/h7-8H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of (3S)-3-(methoxymethyl)-2-methylpentane?
(3S)-3-(methoxymethyl)-2-methylpentane has a molecular weight of 130.23 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-2-methylpentane is sourced from PubChem (CID 171658474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).