1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol

C16H32O2 — CID 72780494

IUPAC1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol
SMILESCCCCCCCCCCC1OC1C(O)C(C)C
InChIInChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-14-16(18-14)15(17)13(2)3/h13-17H,4-12H2,1-3H3
InChIKeyPFUNUSAFIRAPQT-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.30
Rot. Bonds11

About 1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol

1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol (PubChem CID 72780494) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol
PubChem CID72780494
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol
SMILESCCCCCCCCCCC1OC1C(O)C(C)C
InChIInChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-14-16(18-14)15(17)13(2)3/h13-17H,4-12H2,1-3H3
InChIKeyPFUNUSAFIRAPQT-UHFFFAOYSA-N
XLogP4.30
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol (CID 72780494) is 1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol is CCCCCCCCCCC1OC1C(O)C(C)C.
What is the InChIKey of 1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol?
The InChIKey is PFUNUSAFIRAPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-14-16(18-14)15(17)13(2)3/h13-17H,4-12H2,1-3H3.
What are the key properties of 1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol?
1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-decyloxiran-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 72780494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).