2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol

C20H36O4 — CID 165104447

IUPAC2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol
SMILESC=CC1(C)CCC(C(C)(C)O)O1.C=CC1(C)CCC(O)C(C)(C)O1
InChIInChI=1S/2C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11;1-5-10(4)7-6-8(11)9(2,3)12-10/h2*5,8,11H,1,6-7H2,2-4H3
InChIKeyYWVVPGLKOKWCKH-UHFFFAOYSA-N
MW340.50 g/mol
LogP3.76
Rot. Bonds3

About 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol

2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol (PubChem CID 165104447) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol.

Molecular Properties

Compound Name2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol
PubChem CID165104447
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol
SMILESC=CC1(C)CCC(C(C)(C)O)O1.C=CC1(C)CCC(O)C(C)(C)O1
InChIInChI=1S/2C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11;1-5-10(4)7-6-8(11)9(2,3)12-10/h2*5,8,11H,1,6-7H2,2-4H3
InChIKeyYWVVPGLKOKWCKH-UHFFFAOYSA-N
XLogP3.76
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol with MolForge

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Related Compounds

(3S)-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol
CID 141214946
(5S)-5-ethenyl-5-methyloxolan-2-ol
CID 15241028
(2S,3S,6S)-6-ethenyl-2-[(3S)-3-hydroxy-4-methoxy-4-methylpentyl]-2,6-dimethyloxan-3-ol
CID 170988930
(3S,4aS,6aS,8S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol
CID 11483610
(3R,4aR,6aR,8R,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol
CID 162998852
(4aR,8S,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol
CID 91748730
(3S,4aS,6aS,8R,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol
CID 11370235
[(3R,6S)-6-ethenyl-2,2,6-trimethyloxan-3-yl] acetate
CID 21116837
(2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-1-ol
CID 162923110
1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone
CID 70555930
(E,2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-hydroxy-6-methylhept-4-en-3-one
CID 163189246
2-ethenyl-5-ethyl-2-methyloxolane
CID 6431150

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol?
The IUPAC name of 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol (CID 165104447) is 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol.
What is the SMILES notation for 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol?
The canonical SMILES for 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol is C=CC1(C)CCC(C(C)(C)O)O1.C=CC1(C)CCC(O)C(C)(C)O1.
What is the InChIKey of 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol?
The InChIKey is YWVVPGLKOKWCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11;1-5-10(4)7-6-8(11)9(2,3)12-10/h2*5,8,11H,1,6-7H2,2-4H3.
What are the key properties of 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol?
2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol has a molecular weight of 340.50 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;6-ethenyl-2,2,6-trimethyloxan-3-ol is sourced from PubChem (CID 165104447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).