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

C9H20O3 — CID 59039333

IUPAC(2R,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+/m1/s1
InChIKeyIZWDYKISWQKPBD-BDAKNGLRSA-N
MW176.26 g/mol
LogP1.32
Rot. Bonds6

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

(2R,3S)-1,2,3-trimethoxy-4-methylpentane (PubChem CID 59039333) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2R,3S)-1,2,3-trimethoxy-4-methylpentane.

Molecular Properties

Compound Name(2R,3S)-1,2,3-trimethoxy-4-methylpentane
PubChem CID59039333
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name(2R,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+/m1/s1
InChIKeyIZWDYKISWQKPBD-BDAKNGLRSA-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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Related Compounds

Oxirane, 2-[(1,3-dimethylbutoxy)methyl]-
CID 24691573
1,2,3-Trimethoxypentane
CID 552243
(3-Ethyl-3-glycidyloxymethyl)oxetane
CID 153984103
5-(1-Fluoroethyl)-2,3,6-trimethyl-1,4-dioxepane
CID 19850335
1-(2-Fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane
CID 167285904
(2-Methoxy-4-methylpentyl) hypofluorite
CID 175994089
1,2-Dimethoxy-2-methylpentane
CID 13444241
1-Methoxy-2-(methoxymethyl)pentane
CID 17894819
1-Methoxy-2-(methoxymethyl)-4-methylpentane
CID 17894823
2,3-Dimethoxy-4-methylpentane
CID 18398347
2,3-Diethoxy-4-methylpentane
CID 18398349
3-Ethyl-1,2-dimethoxypentane
CID 18398351

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,2,3-trimethoxy-4-methylpentane?
The IUPAC name of (2R,3S)-1,2,3-trimethoxy-4-methylpentane (CID 59039333) is (2R,3S)-1,2,3-trimethoxy-4-methylpentane.
What is the SMILES notation for (2R,3S)-1,2,3-trimethoxy-4-methylpentane?
The canonical SMILES for (2R,3S)-1,2,3-trimethoxy-4-methylpentane is COC[C@@H](OC)[C@@H](OC)C(C)C.
What is the InChIKey of (2R,3S)-1,2,3-trimethoxy-4-methylpentane?
The InChIKey is IZWDYKISWQKPBD-BDAKNGLRSA-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+/m1/s1.
What are the key properties of (2R,3S)-1,2,3-trimethoxy-4-methylpentane?
(2R,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 (2R,3S)-1,2,3-trimethoxy-4-methylpentane is sourced from PubChem (CID 59039333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).