(2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol

C13H27NO4 — CID 146550735

IUPAC(2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol
SMILESCOC(/C(=N\OCC(C)C)[C@@H](O)[C@@H](C)O)C(C)C
InChIInChI=1S/C13H27NO4/c1-8(2)7-18-14-11(12(16)10(5)15)13(17-6)9(3)4/h8-10,12-13,15-16H,7H2,1-6H3/b14-11-/t10-,12+,13?/m1/s1
InChIKeySUICXZQLWYDKMO-RVRHBWQCSA-N
MW261.36 g/mol
LogP1.43
Rot. Bonds8

About (2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol

(2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol (PubChem CID 146550735) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol.

Molecular Properties

Compound Name(2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol
PubChem CID146550735
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name(2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol
SMILESCOC(/C(=N\OCC(C)C)[C@@H](O)[C@@H](C)O)C(C)C
InChIInChI=1S/C13H27NO4/c1-8(2)7-18-14-11(12(16)10(5)15)13(17-6)9(3)4/h8-10,12-13,15-16H,7H2,1-6H3/b14-11-/t10-,12+,13?/m1/s1
InChIKeySUICXZQLWYDKMO-RVRHBWQCSA-N
XLogP1.43
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4Z,5S)-5-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxyimino]heptane-2,3-diol
CID 146550772
2-methyl-1-thionitrosooxypropane
CID 90872329
4-methoxy-5-methylhexan-3-one
CID 83225971
1-[(E)-butan-2-ylideneamino]oxypropan-2-ol
CID 18931756
3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448661
(5S)-4-imino-5-methoxyhexane-2,3-diol
CID 171517765
4-methoxy-5-methyl-3-oxohexanoic acid
CID 134207966
1-(2-hydroxy-3,3-dimethylbutyl)peroxy-3,3-dimethylbutan-2-ol
CID 57136034
2-methylbutane;3-methylbutan-2-ol
CID 87553210
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
sodium 3-hydroxy-2-methoxybutanoate
CID 73426627
1-methoxy-2,2,4-trimethylpentan-3-ol
CID 23199457

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol?
The IUPAC name of (2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol (CID 146550735) is (2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol.
What is the SMILES notation for (2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol?
The canonical SMILES for (2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol is COC(/C(=N\OCC(C)C)[C@@H](O)[C@@H](C)O)C(C)C.
What is the InChIKey of (2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol?
The InChIKey is SUICXZQLWYDKMO-RVRHBWQCSA-N. The full InChI is InChI=1S/C13H27NO4/c1-8(2)7-18-14-11(12(16)10(5)15)13(17-6)9(3)4/h8-10,12-13,15-16H,7H2,1-6H3/b14-11-/t10-,12+,13?/m1/s1.
What are the key properties of (2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol?
(2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol has a molecular weight of 261.36 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol is sourced from PubChem (CID 146550735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).