(2R)-3-prop-2-enylhex-5-ene-2,3-diol

C9H16O2 — CID 76764340

IUPAC(2R)-3-prop-2-enylhex-5-ene-2,3-diol
SMILESC=CCC(O)(CC=C)[C@@H](C)O
InChIInChI=1S/C9H16O2/c1-4-6-9(11,7-5-2)8(3)10/h4-5,8,10-11H,1-2,6-7H2,3H3/t8-/m1/s1
InChIKeyHUHQRFOMEQKLTE-MRVPVSSYSA-N
MW156.22 g/mol
LogP1.25
Rot. Bonds5

About (2R)-3-prop-2-enylhex-5-ene-2,3-diol

(2R)-3-prop-2-enylhex-5-ene-2,3-diol (PubChem CID 76764340) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2R)-3-prop-2-enylhex-5-ene-2,3-diol.

Molecular Properties

Compound Name(2R)-3-prop-2-enylhex-5-ene-2,3-diol
PubChem CID76764340
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2R)-3-prop-2-enylhex-5-ene-2,3-diol
SMILESC=CCC(O)(CC=C)[C@@H](C)O
InChIInChI=1S/C9H16O2/c1-4-6-9(11,7-5-2)8(3)10/h4-5,8,10-11H,1-2,6-7H2,3H3/t8-/m1/s1
InChIKeyHUHQRFOMEQKLTE-MRVPVSSYSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.25
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,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
2,3-Dimethylhex-5-ene-2,3-diol
CID 10877241
1-Hexene-4,5-diol
CID 11137138
Diallyl diethylene glycol
CID 22034395
Diallyltriethylene glycol
CID 87841834
3-Ethyl-5-hexen-2-ol
CID 57027945
4-Ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 14413713
(2S)-2-methylpent-4-ene-1,2-diol
CID 10887876
(2R,3R)-hex-5-ene-2,3-diol
CID 10931415

Frequently Asked Questions

What is the IUPAC name of (2R)-3-prop-2-enylhex-5-ene-2,3-diol?
The IUPAC name of (2R)-3-prop-2-enylhex-5-ene-2,3-diol (CID 76764340) is (2R)-3-prop-2-enylhex-5-ene-2,3-diol.
What is the SMILES notation for (2R)-3-prop-2-enylhex-5-ene-2,3-diol?
The canonical SMILES for (2R)-3-prop-2-enylhex-5-ene-2,3-diol is C=CCC(O)(CC=C)[C@@H](C)O.
What is the InChIKey of (2R)-3-prop-2-enylhex-5-ene-2,3-diol?
The InChIKey is HUHQRFOMEQKLTE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-6-9(11,7-5-2)8(3)10/h4-5,8,10-11H,1-2,6-7H2,3H3/t8-/m1/s1.
What are the key properties of (2R)-3-prop-2-enylhex-5-ene-2,3-diol?
(2R)-3-prop-2-enylhex-5-ene-2,3-diol has a molecular weight of 156.22 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-prop-2-enylhex-5-ene-2,3-diol is sourced from PubChem (CID 76764340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).