(2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol

C8H18O5 — CID 139585913

IUPAC(2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol
SMILESCC(C)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H18O5/c1-4(2)6(11)8(13)7(12)5(10)3-9/h4-13H,3H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyVVDQVGVVCXMMBN-WCTZXXKLSA-N
MW194.23 g/mol
LogP-1.92
Rot. Bonds5

About (2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol

(2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol (PubChem CID 139585913) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol
PubChem CID139585913
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name(2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol
SMILESCC(C)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H18O5/c1-4(2)6(11)8(13)7(12)5(10)3-9/h4-13H,3H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyVVDQVGVVCXMMBN-WCTZXXKLSA-N
XLogP-1.92
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-1.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[(3S,4R,6S)-4-ethyl-6-(2-ethylbutyl)-6-methyldioxan-3-yl]ethane-1,2-diol
CID 46189035
(1R)-1-[(3S,4R,6R)-4-ethyl-6-(2-ethylbutyl)-6-methyldioxan-3-yl]ethane-1,2-diol
CID 46189036
(2S,3R,5S,6R)-3,5-dimethylheptane-1,2,6-triol
CID 10487509
(1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol
CID 56673704
(2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol
CID 162985638
6-Methylheptane-1,2,3,4,5-pentol
CID 20671736
2-(Hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol
CID 58743772
(2R,3S,4R,5R)-5-methylhexane-1,2,3,4,6-pentol
CID 59064032
Isopropyl thiogalactose
CID 87186995
Isopropylthioglucose
CID 87648370
2,4,6-Trimethyl-galactitol
CID 88035563
2,3,6-Trimethyl-glucitol
CID 88036053

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol (CID 139585913) is (2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol is CC(C)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol?
The InChIKey is VVDQVGVVCXMMBN-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H18O5/c1-4(2)6(11)8(13)7(12)5(10)3-9/h4-13H,3H2,1-2H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol?
(2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol has a molecular weight of 194.23 g/mol, XLogP of -1.92, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-6-methylheptane-1,2,3,4,5-pentol is sourced from PubChem (CID 139585913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).