(2S,3S)-1,2,3-trimethoxy-4-methylpentane

C9H20O3 — CID 59039550

IUPAC(2S,3S)-1,2,3-trimethoxy-4-methylpentane
SMILESCOC[C@H](OC)[C@@H](OC)C(C)C
InChIInChI=1S/C9H20O3/c1-7(2)9(12-5)8(11-4)6-10-3/h7-9H,6H2,1-5H3/t8-,9-/m0/s1
InChIKeyIZWDYKISWQKPBD-IUCAKERBSA-N
MW176.26 g/mol
LogP1.32
Rot. Bonds6

About (2S,3S)-1,2,3-trimethoxy-4-methylpentane

(2S,3S)-1,2,3-trimethoxy-4-methylpentane (PubChem CID 59039550) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2S,3S)-1,2,3-trimethoxy-4-methylpentane.

Molecular Properties

Compound Name(2S,3S)-1,2,3-trimethoxy-4-methylpentane
PubChem CID59039550
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name(2S,3S)-1,2,3-trimethoxy-4-methylpentane
SMILESCOC[C@H](OC)[C@@H](OC)C(C)C
InChIInChI=1S/C9H20O3/c1-7(2)9(12-5)8(11-4)6-10-3/h7-9H,6H2,1-5H3/t8-,9-/m0/s1
InChIKeyIZWDYKISWQKPBD-IUCAKERBSA-N
XLogP1.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,2,3-trimethoxy-4-methylpentane?
The IUPAC name of (2S,3S)-1,2,3-trimethoxy-4-methylpentane (CID 59039550) is (2S,3S)-1,2,3-trimethoxy-4-methylpentane.
What is the SMILES notation for (2S,3S)-1,2,3-trimethoxy-4-methylpentane?
The canonical SMILES for (2S,3S)-1,2,3-trimethoxy-4-methylpentane is COC[C@H](OC)[C@@H](OC)C(C)C.
What is the InChIKey of (2S,3S)-1,2,3-trimethoxy-4-methylpentane?
The InChIKey is IZWDYKISWQKPBD-IUCAKERBSA-N. The full InChI is InChI=1S/C9H20O3/c1-7(2)9(12-5)8(11-4)6-10-3/h7-9H,6H2,1-5H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-1,2,3-trimethoxy-4-methylpentane?
(2S,3S)-1,2,3-trimethoxy-4-methylpentane has a molecular weight of 176.26 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,2,3-trimethoxy-4-methylpentane is sourced from PubChem (CID 59039550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).