ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one

C20H44O6 — CID 143118075

IUPACethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one
SMILESCC.CC.CC.COC1CCOC(C)C1=O.COC1CCOC(C)[C@@H]1O
InChIInChI=1S/C7H14O3.C7H12O3.3C2H6/c2*1-5-7(8)6(9-2)3-4-10-5;3*1-2/h5-8H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;3*1-2H3/t5?,6?,7-;;;;/m0..../s1
InChIKeyWQZWPYDMNWLMRR-UXPUAYOVSA-N
MW380.57 g/mol
LogP3.63
Rot. Bonds2

About ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one

ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one (PubChem CID 143118075) has the molecular formula C20H44O6 and a molecular weight of 380.57 g/mol. Its IUPAC name is ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one.

Molecular Properties

Compound Nameethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one
PubChem CID143118075
Molecular FormulaC20H44O6
Molecular Weight380.57 g/mol
Exact Mass380.31
IUPAC Nameethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one
SMILESCC.CC.CC.COC1CCOC(C)C1=O.COC1CCOC(C)[C@@H]1O
InChIInChI=1S/C7H14O3.C7H12O3.3C2H6/c2*1-5-7(8)6(9-2)3-4-10-5;3*1-2/h5-8H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;3*1-2H3/t5?,6?,7-;;;;/m0..../s1
InChIKeyWQZWPYDMNWLMRR-UXPUAYOVSA-N
XLogP3.63
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4R)-4-methoxy-2-methyloxan-3-ol
CID 66553643
5-hydroxy-4-methoxy-6-methyloxan-2-one
CID 18534399
2,4-dimethyloxepan-3-one
CID 19870825
methoxy-[(2S,3R,4S)-4-methoxy-2-methyloxan-3-yl]oxymethanethione
CID 163616011
(2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one
CID 130909521
(3R)-2-methyloxolan-3-ol
CID 89032581
(2R,3S)-2-iodo-3-methoxyoxolane
CID 162786702
(4R)-4-methoxyoxan-3-one
CID 131972090
methyl 5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112619114
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
methyl N-(2-methyloxolan-3-yl)carbamate
CID 115869605

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one?
The IUPAC name of ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one (CID 143118075) is ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one.
What is the SMILES notation for ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one?
The canonical SMILES for ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one is CC.CC.CC.COC1CCOC(C)C1=O.COC1CCOC(C)[C@@H]1O.
What is the InChIKey of ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one?
The InChIKey is WQZWPYDMNWLMRR-UXPUAYOVSA-N. The full InChI is InChI=1S/C7H14O3.C7H12O3.3C2H6/c2*1-5-7(8)6(9-2)3-4-10-5;3*1-2/h5-8H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;3*1-2H3/t5?,6?,7-;;;;/m0..../s1.
What are the key properties of ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one?
ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one has a molecular weight of 380.57 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-4-methoxy-2-methyloxan-3-ol;4-methoxy-2-methyloxan-3-one is sourced from PubChem (CID 143118075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).