(2R,3R)-3-methylhept-6-ene-1,2,3-triol

C8H16O3 — CID 162401008

IUPAC(2R,3R)-3-methylhept-6-ene-1,2,3-triol
SMILESC=CCC[C@@](C)(O)[C@H](O)CO
InChIInChI=1S/C8H16O3/c1-3-4-5-8(2,11)7(10)6-9/h3,7,9-11H,1,4-6H2,2H3/t7-,8-/m1/s1
InChIKeyIPLLOHOJWFPMCD-HTQZYQBOSA-N
MW160.21 g/mol
LogP0.06
Rot. Bonds5

About (2R,3R)-3-methylhept-6-ene-1,2,3-triol

(2R,3R)-3-methylhept-6-ene-1,2,3-triol (PubChem CID 162401008) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2R,3R)-3-methylhept-6-ene-1,2,3-triol.

Molecular Properties

Compound Name(2R,3R)-3-methylhept-6-ene-1,2,3-triol
PubChem CID162401008
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2R,3R)-3-methylhept-6-ene-1,2,3-triol
SMILESC=CCC[C@@](C)(O)[C@H](O)CO
InChIInChI=1S/C8H16O3/c1-3-4-5-8(2,11)7(10)6-9/h3,7,9-11H,1,4-6H2,2H3/t7-,8-/m1/s1
InChIKeyIPLLOHOJWFPMCD-HTQZYQBOSA-N
XLogP0.06
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol
CID 11240729
2-Methyl-6-methylene-7-octene-2,3-diol
CID 14733972
3-Methyloct-7-en-2-ol
CID 10351801
(2R,3S,4S)-2-[(E)-but-2-enyl]pentane-1,3,4-triol
CID 168289251
(3R,4S)-4-ethenyl-2,5-dimethylhexane-2,3,5-triol
CID 162860351
(3S,4R)-4-ethenyl-2,5-dimethylhexane-2,3,5-triol
CID 162860352
(3R,4R)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 162979485
(3S,4S)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 163189878
7-Octene-2,3-diol, 2,6-dimethyl-
CID 3609265
(s)-2-Methyl-hept-6-ene-1,2-diol
CID 11062507
(3S,6S)-2,6-dimethyloct-7-ene-2,3-diol
CID 1764528
2-Methyl-6-hepten-1,2-diol
CID 13976451

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methylhept-6-ene-1,2,3-triol?
The IUPAC name of (2R,3R)-3-methylhept-6-ene-1,2,3-triol (CID 162401008) is (2R,3R)-3-methylhept-6-ene-1,2,3-triol.
What is the SMILES notation for (2R,3R)-3-methylhept-6-ene-1,2,3-triol?
The canonical SMILES for (2R,3R)-3-methylhept-6-ene-1,2,3-triol is C=CCC[C@@](C)(O)[C@H](O)CO.
What is the InChIKey of (2R,3R)-3-methylhept-6-ene-1,2,3-triol?
The InChIKey is IPLLOHOJWFPMCD-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-4-5-8(2,11)7(10)6-9/h3,7,9-11H,1,4-6H2,2H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-methylhept-6-ene-1,2,3-triol?
(2R,3R)-3-methylhept-6-ene-1,2,3-triol has a molecular weight of 160.21 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methylhept-6-ene-1,2,3-triol is sourced from PubChem (CID 162401008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).