(2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol

C10H22O4 — CID 101428801

IUPAC(2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol
SMILESCC[C@@H](CO)[C@H](O)[C@H](C)COCOC
InChIInChI=1S/C10H22O4/c1-4-9(5-11)10(12)8(2)6-14-7-13-3/h8-12H,4-7H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyNAHMGDAXDGWXIM-KXUCPTDWSA-N
MW206.28 g/mol
LogP0.62
Rot. Bonds8

About (2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol

(2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol (PubChem CID 101428801) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol.

Molecular Properties

Compound Name(2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol
PubChem CID101428801
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name(2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol
SMILESCC[C@@H](CO)[C@H](O)[C@H](C)COCOC
InChIInChI=1S/C10H22O4/c1-4-9(5-11)10(12)8(2)6-14-7-13-3/h8-12H,4-7H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyNAHMGDAXDGWXIM-KXUCPTDWSA-N
XLogP0.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol
CID 170068950
2-ethyl-4-propan-2-ylpentane-1,3,5-triol
CID 118683289
(2S,3S)-2-ethylbutane-1,3-diol
CID 87152899
(2R,3R)-2-ethylbutane-1,3-diol
CID 130733536
methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate
CID 5364250
(2S,3R,4S)-2,4-dimethylhexane-1,3-diol
CID 10931577
(2S,3R)-2,4-dimethylhexane-1,3-diol
CID 130918298
3-(bromomethyl)-5-methylheptan-4-ol
CID 173307916
2-ethyl-3-methylhexane-1,5-diol
CID 137353593
(2S,3S,5R)-5-(methoxymethoxymethyl)-3-methyl-6-(2-methylphenyl)hexane-1,2-diol
CID 151531200
3-ethyl-1-methoxypentan-2-ol
CID 79568083
(4R)-3-ethyl-4-methylhexane
CID 59954491

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol?
The IUPAC name of (2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol (CID 101428801) is (2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol.
What is the SMILES notation for (2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol?
The canonical SMILES for (2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol is CC[C@@H](CO)[C@H](O)[C@H](C)COCOC.
What is the InChIKey of (2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol?
The InChIKey is NAHMGDAXDGWXIM-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H22O4/c1-4-9(5-11)10(12)8(2)6-14-7-13-3/h8-12H,4-7H2,1-3H3/t8-,9+,10-/m1/s1.
What are the key properties of (2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol?
(2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol has a molecular weight of 206.28 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol is sourced from PubChem (CID 101428801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).