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

C10H20O5 — CID 162967753

IUPAC(2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol
SMILESC=C(CC[C@@H](O)[C@](C)(O)CO)[C@H](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-/m1/s1
InChIKeyHWSDPJWYWJYJLF-OPRDCNLKSA-N
MW220.26 g/mol
LogP-1.22
Rot. Bonds7

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

(2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol (PubChem CID 162967753) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol.

Molecular Properties

Compound Name(2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol
PubChem CID162967753
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol
SMILESC=C(CC[C@@H](O)[C@](C)(O)CO)[C@H](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-/m1/s1
InChIKeyHWSDPJWYWJYJLF-OPRDCNLKSA-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'}

Analyze (2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol with MolForge

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Related Compounds

7-Methyl-3-methylideneoctane-1,2,6,7-tetrol
CID 15382184
7-Methyl-3-methylene-1,6,7-octanetriol
CID 10607654
(1R,2R,5R,6R,10S)-3,7-dimethylidene-10-propan-2-ylcyclodecane-1,2,5,6-tetrol
CID 162974517
(2S,6R)-7-methyl-3-methylideneoctane-1,2,6,7-tetrol
CID 162848427
(2R,3S,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol
CID 162967752
3-Methyl-4-methylideneoctane-1,3-diol
CID 11480722
3,7,11-Trimethyldodeca-1,10-diene-3,4,6,7-tetrol
CID 177643288
3,7-Dimethyloct-7-ene-2,6-diol
CID 90936137
(2r,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol
CID 177255949
3-Methylidene-2-pentylheptane-1,2-diol
CID 12022128
7-Methyl-3-methylideneoctane-1,2-diol
CID 87429663
(3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol
CID 15423973

Frequently Asked Questions

What is the IUPAC name of (2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol?
The IUPAC name of (2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol (CID 162967753) is (2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol.
What is the SMILES notation for (2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol?
The canonical SMILES for (2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol is C=C(CC[C@@H](O)[C@](C)(O)CO)[C@H](O)CO.
What is the InChIKey of (2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol?
The InChIKey is HWSDPJWYWJYJLF-OPRDCNLKSA-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-/m1/s1.
What are the key properties of (2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol?
(2R,3R,7S)-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 (2R,3R,7S)-2-methyl-6-methylideneoctane-1,2,3,7,8-pentol is sourced from PubChem (CID 162967753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).