(3S)-1,2,3-trimethoxypentane

C8H18O3 — CID 167509153

IUPAC(3S)-1,2,3-trimethoxypentane
SMILESCC[C@H](OC)C(COC)OC
InChIInChI=1S/C8H18O3/c1-5-7(10-3)8(11-4)6-9-2/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1
InChIKeyHURIHJCELQOCMD-JAMMHHFISA-N
MW162.23 g/mol
LogP1.07
Rot. Bonds6

About (3S)-1,2,3-trimethoxypentane

(3S)-1,2,3-trimethoxypentane (PubChem CID 167509153) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is (3S)-1,2,3-trimethoxypentane.

Molecular Properties

Compound Name(3S)-1,2,3-trimethoxypentane
PubChem CID167509153
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name(3S)-1,2,3-trimethoxypentane
SMILESCC[C@H](OC)C(COC)OC
InChIInChI=1S/C8H18O3/c1-5-7(10-3)8(11-4)6-9-2/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1
InChIKeyHURIHJCELQOCMD-JAMMHHFISA-N
XLogP1.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-1,2,3,4,5-pentamethoxypentane
CID 90327969
(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
CID 59693568
1,2,3-trimethoxy-4-methylpentane
CID 23384640
2,3-dimethoxy-1-nitrosopentane
CID 163864356
3,4-bis(methoxymethyl)hexane
CID 142709823
1-methoxy-2-(methoxymethyl)butane
CID 23295181
1,2,3,4,5-pentamethoxyhexane
CID 529418
(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol
CID 15689262
N,3-diethyl-5-methoxyheptan-4-amine
CID 116715851
(2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid
CID 101261454
1,5-dimethoxy-3-methylheptan-4-amine
CID 116715297
(2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol
CID 88881367

Frequently Asked Questions

What is the IUPAC name of (3S)-1,2,3-trimethoxypentane?
The IUPAC name of (3S)-1,2,3-trimethoxypentane (CID 167509153) is (3S)-1,2,3-trimethoxypentane.
What is the SMILES notation for (3S)-1,2,3-trimethoxypentane?
The canonical SMILES for (3S)-1,2,3-trimethoxypentane is CC[C@H](OC)C(COC)OC.
What is the InChIKey of (3S)-1,2,3-trimethoxypentane?
The InChIKey is HURIHJCELQOCMD-JAMMHHFISA-N. The full InChI is InChI=1S/C8H18O3/c1-5-7(10-3)8(11-4)6-9-2/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1.
What are the key properties of (3S)-1,2,3-trimethoxypentane?
(3S)-1,2,3-trimethoxypentane has a molecular weight of 162.23 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,2,3-trimethoxypentane is sourced from PubChem (CID 167509153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).