(2R,3S)-3-methylhept-6-ene-2,3-diol

C8H16O2 — CID 76764152

IUPAC(2R,3S)-3-methylhept-6-ene-2,3-diol
SMILESC=CCC[C@](C)(O)[C@@H](C)O
InChIInChI=1S/C8H16O2/c1-4-5-6-8(3,10)7(2)9/h4,7,9-10H,1,5-6H2,2-3H3/t7-,8+/m1/s1
InChIKeyTUWRACXLSVMAKO-SFYZADRCSA-N
MW144.21 g/mol
LogP1.08
Rot. Bonds4

About (2R,3S)-3-methylhept-6-ene-2,3-diol

(2R,3S)-3-methylhept-6-ene-2,3-diol (PubChem CID 76764152) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2R,3S)-3-methylhept-6-ene-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-3-methylhept-6-ene-2,3-diol
PubChem CID76764152
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2R,3S)-3-methylhept-6-ene-2,3-diol
SMILESC=CCC[C@](C)(O)[C@@H](C)O
InChIInChI=1S/C8H16O2/c1-4-5-6-8(3,10)7(2)9/h4,7,9-10H,1,5-6H2,2-3H3/t7-,8+/m1/s1
InChIKeyTUWRACXLSVMAKO-SFYZADRCSA-N
XLogP1.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
4-Methyl-6-hepten-3-ol
CID 547700
2-Methyl-6-methylene-7-octene-2,3-diol
CID 14733972
(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
(2R,3S)-3-methylhept-6-en-2-ol
CID 10701856

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methylhept-6-ene-2,3-diol?
The IUPAC name of (2R,3S)-3-methylhept-6-ene-2,3-diol (CID 76764152) is (2R,3S)-3-methylhept-6-ene-2,3-diol.
What is the SMILES notation for (2R,3S)-3-methylhept-6-ene-2,3-diol?
The canonical SMILES for (2R,3S)-3-methylhept-6-ene-2,3-diol is C=CCC[C@](C)(O)[C@@H](C)O.
What is the InChIKey of (2R,3S)-3-methylhept-6-ene-2,3-diol?
The InChIKey is TUWRACXLSVMAKO-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-6-8(3,10)7(2)9/h4,7,9-10H,1,5-6H2,2-3H3/t7-,8+/m1/s1.
What are the key properties of (2R,3S)-3-methylhept-6-ene-2,3-diol?
(2R,3S)-3-methylhept-6-ene-2,3-diol has a molecular weight of 144.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methylhept-6-ene-2,3-diol is sourced from PubChem (CID 76764152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).