(2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol

C10H20O5 — CID 100915932

IUPAC(2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol
SMILESC=C(CC[C@H](O)[C@@](C)(O)CO)C(O)CO
InChIInChI=1S/C10H20O5/c1-7(8(13)5-11)3-4-9(14)10(2,15)6-12/h8-9,11-15H,1,3-6H2,2H3/t8?,9-,10-/m0/s1
InChIKeyHWSDPJWYWJYJLF-AGROOBSYSA-N
MW220.26 g/mol
LogP-1.22
Rot. Bonds7

About (2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol

(2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol (PubChem CID 100915932) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol.

Molecular Properties

Compound Name(2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol
PubChem CID100915932
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol
SMILESC=C(CC[C@H](O)[C@@](C)(O)CO)C(O)CO
InChIInChI=1S/C10H20O5/c1-7(8(13)5-11)3-4-9(14)10(2,15)6-12/h8-9,11-15H,1,3-6H2,2H3/t8?,9-,10-/m0/s1
InChIKeyHWSDPJWYWJYJLF-AGROOBSYSA-N
XLogP-1.22
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-methyl-3-methylideneoctane-1,2-diol
CID 87429663
(2S,3R)-4,4-dideuterio-2-methylpentane-1,2,3-triol
CID 11007962
(2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol
CID 87921477
(3R)-2,6-dimethyloct-6-ene-2,3-diol
CID 141318928
(3R,4R,5S)-1,3,4,5,6-pentahydroxy-5-methylhexan-2-one
CID 102589824
3,4,5,6-tetrahydroxy-3,4-dimethyl-2-oxohexanoic acid
CID 88906798
(2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol
CID 101223934
(3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol
CID 134974140
1,3,4,5-tetrahydroxy-4-methylpentan-2-one
CID 130036294
butane-1,2,4-triol;2-methylpropane-1,2,3-triol
CID 157412120
(5S)-2,6-dimethylhept-6-ene-2,5-diol
CID 11815994
2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid
CID 159861269

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol?
The IUPAC name of (2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol (CID 100915932) is (2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol.
What is the SMILES notation for (2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol?
The canonical SMILES for (2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol is C=C(CC[C@H](O)[C@@](C)(O)CO)C(O)CO.
What is the InChIKey of (2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol?
The InChIKey is HWSDPJWYWJYJLF-AGROOBSYSA-N. The full InChI is InChI=1S/C10H20O5/c1-7(8(13)5-11)3-4-9(14)10(2,15)6-12/h8-9,11-15H,1,3-6H2,2H3/t8?,9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol?
(2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol has a molecular weight of 220.26 g/mol, XLogP of -1.22, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol is sourced from PubChem (CID 100915932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).