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

C11H20O2 — CID 115817336

IUPAC2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol
SMILESC=C(C)C(O)C1C(C)OC(C)C1C
InChIInChI=1S/C11H20O2/c1-6(2)11(12)10-7(3)8(4)13-9(10)5/h7-12H,1H2,2-5H3
InChIKeyQYAHDMNCCDHJDA-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.98
Rot. Bonds2

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

2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol (PubChem CID 115817336) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol
PubChem CID115817336
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol
SMILESC=C(C)C(O)C1C(C)OC(C)C1C
InChIInChI=1S/C11H20O2/c1-6(2)11(12)10-7(3)8(4)13-9(10)5/h7-12H,1H2,2-5H3
InChIKeyQYAHDMNCCDHJDA-UHFFFAOYSA-N
XLogP1.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.98
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 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol?
The IUPAC name of 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol (CID 115817336) is 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol.
What is the SMILES notation for 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol?
The canonical SMILES for 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol is C=C(C)C(O)C1C(C)OC(C)C1C.
What is the InChIKey of 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol?
The InChIKey is QYAHDMNCCDHJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-6(2)11(12)10-7(3)8(4)13-9(10)5/h7-12H,1H2,2-5H3.
What are the key properties of 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol?
2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol is sourced from PubChem (CID 115817336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).