1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol

C10H18O2 — CID 115814751

IUPAC1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol
SMILESC=CC(O)C1C(C)OC(C)C1C
InChIInChI=1S/C10H18O2/c1-5-9(11)10-6(2)7(3)12-8(10)4/h5-11H,1H2,2-4H3
InChIKeyNBUUJMSNFNNCQF-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.59
Rot. Bonds2

About 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol

1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol (PubChem CID 115814751) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol
PubChem CID115814751
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol
SMILESC=CC(O)C1C(C)OC(C)C1C
InChIInChI=1S/C10H18O2/c1-5-9(11)10-6(2)7(3)12-8(10)4/h5-11H,1H2,2-4H3
InChIKeyNBUUJMSNFNNCQF-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol?
The IUPAC name of 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol (CID 115814751) is 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol is C=CC(O)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol?
The InChIKey is NBUUJMSNFNNCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-9(11)10-6(2)7(3)12-8(10)4/h5-11H,1H2,2-4H3.
What are the key properties of 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol?
1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol is sourced from PubChem (CID 115814751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).