2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol

C10H18O2 — CID 139677018

IUPAC2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol
SMILESC=CC1(O)OC(C)CC1C(C)C
InChIInChI=1S/C10H18O2/c1-5-10(11)9(7(2)3)6-8(4)12-10/h5,7-9,11H,1,6H2,2-4H3
InChIKeyUTMRCFFNRKMFED-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.94
Rot. Bonds2

About 2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol

2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol (PubChem CID 139677018) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol.

Molecular Properties

Compound Name2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol
PubChem CID139677018
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol
SMILESC=CC1(O)OC(C)CC1C(C)C
InChIInChI=1S/C10H18O2/c1-5-10(11)9(7(2)3)6-8(4)12-10/h5,7-9,11H,1,6H2,2-4H3
InChIKeyUTMRCFFNRKMFED-UHFFFAOYSA-N
XLogP1.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.94
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

5-Ethenyl-5-methyl-4-propan-2-yloxolan-2-ol
CID 140286423
2-[(2S)-2-ethenyl-2-methyloxolan-3-yl]propan-2-ol
CID 56981124
2-[(2R)-2-ethenyl-2-methyloxolan-3-yl]propan-2-ol
CID 56986786
[2,5-Bis(ethenyl)-4-(hydroxymethyl)oxolan-3-yl]methanol
CID 59658486
5-Ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol
CID 123382656
(4R,5S)-5-ethenyl-4,5-dimethyloxolan-2-ol
CID 10510958
5-Ethenyl-2-methyl-3-(1-tributylstannylethyl)oxolan-2-ol
CID 10983138
(2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane
CID 101044804
1-(2,4,5-Trimethyloxolan-3-yl)prop-2-en-1-ol
CID 115814751

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol?
The IUPAC name of 2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol (CID 139677018) is 2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol.
What is the SMILES notation for 2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol?
The canonical SMILES for 2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol is C=CC1(O)OC(C)CC1C(C)C.
What is the InChIKey of 2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol?
The InChIKey is UTMRCFFNRKMFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(11)9(7(2)3)6-8(4)12-10/h5,7-9,11H,1,6H2,2-4H3.
What are the key properties of 2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol?
2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methyl-3-propan-2-yloxolan-2-ol is sourced from PubChem (CID 139677018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).