(2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol

C11H20O3 — CID 170988341

IUPAC(2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol
SMILESCCC[C@@](O)(/C=C/C=C/[C@@H](C)O)CO
InChIInChI=1S/C11H20O3/c1-3-7-11(14,9-12)8-5-4-6-10(2)13/h4-6,8,10,12-14H,3,7,9H2,1-2H3/b6-4+,8-5+/t10-,11-/m1/s1
InChIKeySQMVYBWCHZJFOF-KWDYXOOLSA-N
MW200.28 g/mol
LogP1.00
Rot. Bonds6

About (2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol

(2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol (PubChem CID 170988341) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol.

Molecular Properties

Compound Name(2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol
PubChem CID170988341
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol
SMILESCCC[C@@](O)(/C=C/C=C/[C@@H](C)O)CO
InChIInChI=1S/C11H20O3/c1-3-7-11(14,9-12)8-5-4-6-10(2)13/h4-6,8,10,12-14H,3,7,9H2,1-2H3/b6-4+,8-5+/t10-,11-/m1/s1
InChIKeySQMVYBWCHZJFOF-KWDYXOOLSA-N
XLogP1.00
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol with MolForge

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Related Compounds

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cis-5,6-Dihydro-5,6-dihydroxy-carotene
CID 53477757
3,7-Dimethyl-3-octene-1,2,6,7-tetrol
CID 15885840
cis-1,2-Dihydro-3-ethylcatechol
CID 441155
2-(Y(E)-propenyl)-octa-4(E),6(Z)-diene-1,2diol
CID 10511649
(3S,5E)-2,6-Dimethyl-5,7-octadiene-2,3-diol
CID 15885839
Lycopene-5,6-diol
CID 15930870
6-Methoxy-1-propylcyclohexa-2,4-dien-1-ol
CID 154505258
9-Hydroxynerolidol
CID 14414269
(3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol
CID 127036756
15-Hydroxynerolidol
CID 168265121

Frequently Asked Questions

What is the IUPAC name of (2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol?
The IUPAC name of (2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol (CID 170988341) is (2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol.
What is the SMILES notation for (2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol?
The canonical SMILES for (2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol is CCC[C@@](O)(/C=C/C=C/[C@@H](C)O)CO.
What is the InChIKey of (2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol?
The InChIKey is SQMVYBWCHZJFOF-KWDYXOOLSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-7-11(14,9-12)8-5-4-6-10(2)13/h4-6,8,10,12-14H,3,7,9H2,1-2H3/b6-4+,8-5+/t10-,11-/m1/s1.
What are the key properties of (2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol?
(2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol has a molecular weight of 200.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,5E,7R)-2-propylocta-3,5-diene-1,2,7-triol is sourced from PubChem (CID 170988341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).