[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol

C10H18O2 — CID 530403

IUPAC[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
SMILESCC(C)=CCCC1(C)OC1CO
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3
InChIKeyRZRBXGPSHVAUQO-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds4

About [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol

[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol (PubChem CID 530403) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
PubChem CID530403
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
SMILESCC(C)=CCCC1(C)OC1CO
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3
InChIKeyRZRBXGPSHVAUQO-UHFFFAOYSA-N
XLogP1.88
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol?
The IUPAC name of [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol (CID 530403) is [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol.
What is the SMILES notation for [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol?
The canonical SMILES for [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol is CC(C)=CCCC1(C)OC1CO.
What is the InChIKey of [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol?
The InChIKey is RZRBXGPSHVAUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3.
What are the key properties of [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol?
[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol is sourced from PubChem (CID 530403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).