(E,2R)-2-prop-2-enylpent-3-ene-1,2-diol

C8H14O2 — CID 135038970

IUPAC(E,2R)-2-prop-2-enylpent-3-ene-1,2-diol
SMILESC=CC[C@@](O)(/C=C/C)CO
InChIInChI=1S/C8H14O2/c1-3-5-8(10,7-9)6-4-2/h3-4,6,9-10H,1,5,7H2,2H3/b6-4+/t8-/m1/s1
InChIKeyYUYVHHLDYYJWRR-YZCDNWJKSA-N
MW142.20 g/mol
LogP0.86
Rot. Bonds4

About (E,2R)-2-prop-2-enylpent-3-ene-1,2-diol

(E,2R)-2-prop-2-enylpent-3-ene-1,2-diol (PubChem CID 135038970) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E,2R)-2-prop-2-enylpent-3-ene-1,2-diol.

Molecular Properties

Compound Name(E,2R)-2-prop-2-enylpent-3-ene-1,2-diol
PubChem CID135038970
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E,2R)-2-prop-2-enylpent-3-ene-1,2-diol
SMILESC=CC[C@@](O)(/C=C/C)CO
InChIInChI=1S/C8H14O2/c1-3-5-8(10,7-9)6-4-2/h3-4,6,9-10H,1,5,7H2,2H3/b6-4+/t8-/m1/s1
InChIKeyYUYVHHLDYYJWRR-YZCDNWJKSA-N
XLogP0.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.86
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

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Npc213918
CID 5352452
3,7-Dimethyl-3-octene-1,2,6,7-tetrol
CID 15885840
2-(Y(E)-propenyl)-octa-4(E),6(Z)-diene-1,2diol
CID 10511649
(2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol
CID 11206026
CID 188028
CID 188028
2,6-Octadiene-4,5-diol
CID 5366238
9-Hydroxynerolidol
CID 14414269
1,5-Heptadiene-3,4-diol
CID 5366240
Hedychiol A
CID 10105633
(E,2R,6R)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol
CID 15885841
(E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol
CID 15885844

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-prop-2-enylpent-3-ene-1,2-diol?
The IUPAC name of (E,2R)-2-prop-2-enylpent-3-ene-1,2-diol (CID 135038970) is (E,2R)-2-prop-2-enylpent-3-ene-1,2-diol.
What is the SMILES notation for (E,2R)-2-prop-2-enylpent-3-ene-1,2-diol?
The canonical SMILES for (E,2R)-2-prop-2-enylpent-3-ene-1,2-diol is C=CC[C@@](O)(/C=C/C)CO.
What is the InChIKey of (E,2R)-2-prop-2-enylpent-3-ene-1,2-diol?
The InChIKey is YUYVHHLDYYJWRR-YZCDNWJKSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-8(10,7-9)6-4-2/h3-4,6,9-10H,1,5,7H2,2H3/b6-4+/t8-/m1/s1.
What are the key properties of (E,2R)-2-prop-2-enylpent-3-ene-1,2-diol?
(E,2R)-2-prop-2-enylpent-3-ene-1,2-diol has a molecular weight of 142.20 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-prop-2-enylpent-3-ene-1,2-diol is sourced from PubChem (CID 135038970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).