3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol

C11H22O2 — CID 135064646

IUPAC3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol
SMILESCC(CCO)CCC1(C)OC1(C)C
InChIInChI=1S/C11H22O2/c1-9(6-8-12)5-7-11(4)10(2,3)13-11/h9,12H,5-8H2,1-4H3
InChIKeyMPCQJKFZSXXNBG-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds5

About 3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol

3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol (PubChem CID 135064646) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol
PubChem CID135064646
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol
SMILESCC(CCO)CCC1(C)OC1(C)C
InChIInChI=1S/C11H22O2/c1-9(6-8-12)5-7-11(4)10(2,3)13-11/h9,12H,5-8H2,1-4H3
InChIKeyMPCQJKFZSXXNBG-UHFFFAOYSA-N
XLogP2.35
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol?
The IUPAC name of 3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol (CID 135064646) is 3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol.
What is the SMILES notation for 3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol?
The canonical SMILES for 3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol is CC(CCO)CCC1(C)OC1(C)C.
What is the InChIKey of 3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol?
The InChIKey is MPCQJKFZSXXNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(6-8-12)5-7-11(4)10(2,3)13-11/h9,12H,5-8H2,1-4H3.
What are the key properties of 3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol?
3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol is sourced from PubChem (CID 135064646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).