(E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol

C9H16O2 — CID 58723061

IUPAC(E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol
SMILESCC1C[C@H](/C=C/CO)OC1C
InChIInChI=1S/C9H16O2/c1-7-6-9(4-3-5-10)11-8(7)2/h3-4,7-10H,5-6H2,1-2H3/b4-3+/t7?,8?,9-/m0/s1
InChIKeyGMIHZWYKEPZBLD-AXQFEKSGSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds2

About (E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol

(E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol (PubChem CID 58723061) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol
PubChem CID58723061
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol
SMILESCC1C[C@H](/C=C/CO)OC1C
InChIInChI=1S/C9H16O2/c1-7-6-9(4-3-5-10)11-8(7)2/h3-4,7-10H,5-6H2,1-2H3/b4-3+/t7?,8?,9-/m0/s1
InChIKeyGMIHZWYKEPZBLD-AXQFEKSGSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol
CID 131751871
2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol
CID 24744920
(E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol
CID 162905306
(3S)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol
CID 163081193
(3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol
CID 163195573
(1R,4S)-4-[(E)-1-hydroxy-4-[(2-methylpropan-2-yl)oxy]but-2-en-2-yl]cyclopent-2-en-1-ol
CID 5470159
[3-Ethyl-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 89307426
8-Ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol
CID 123935791
7-Methoxy-5,7-dimethyl-2-octen-1-ol
CID 3024247
7-Methoxy-5,7-dimethyloct-2-en-1-ol
CID 6366523
(E, E)-3,7,11-Trimethyl-7,10-epoxydodeca-2,5,11-trien-1-ol
CID 6429051
(E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol
CID 12836083

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol (CID 58723061) is (E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol is CC1C[C@H](/C=C/CO)OC1C.
What is the InChIKey of (E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol?
The InChIKey is GMIHZWYKEPZBLD-AXQFEKSGSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-6-9(4-3-5-10)11-8(7)2/h3-4,7-10H,5-6H2,1-2H3/b4-3+/t7?,8?,9-/m0/s1.
What are the key properties of (E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol?
(E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 58723061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).