2-methyl-2-propan-2-yl-3-prop-1-enyloxetane

C10H18O — CID 71384243

IUPAC2-methyl-2-propan-2-yl-3-prop-1-enyloxetane
SMILESCC=CC1COC1(C)C(C)C
InChIInChI=1S/C10H18O/c1-5-6-9-7-11-10(9,4)8(2)3/h5-6,8-9H,7H2,1-4H3
InChIKeyDXMCBRQDMVMACQ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.62
Rot. Bonds2

About 2-methyl-2-propan-2-yl-3-prop-1-enyloxetane

2-methyl-2-propan-2-yl-3-prop-1-enyloxetane (PubChem CID 71384243) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yl-3-prop-1-enyloxetane.

Molecular Properties

Compound Name2-methyl-2-propan-2-yl-3-prop-1-enyloxetane
PubChem CID71384243
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-methyl-2-propan-2-yl-3-prop-1-enyloxetane
SMILESCC=CC1COC1(C)C(C)C
InChIInChI=1S/C10H18O/c1-5-6-9-7-11-10(9,4)8(2)3/h5-6,8-9H,7H2,1-4H3
InChIKeyDXMCBRQDMVMACQ-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-2-propan-2-yl-3-prop-1-enyloxetane?
The IUPAC name of 2-methyl-2-propan-2-yl-3-prop-1-enyloxetane (CID 71384243) is 2-methyl-2-propan-2-yl-3-prop-1-enyloxetane.
What is the SMILES notation for 2-methyl-2-propan-2-yl-3-prop-1-enyloxetane?
The canonical SMILES for 2-methyl-2-propan-2-yl-3-prop-1-enyloxetane is CC=CC1COC1(C)C(C)C.
What is the InChIKey of 2-methyl-2-propan-2-yl-3-prop-1-enyloxetane?
The InChIKey is DXMCBRQDMVMACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-6-9-7-11-10(9,4)8(2)3/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 2-methyl-2-propan-2-yl-3-prop-1-enyloxetane?
2-methyl-2-propan-2-yl-3-prop-1-enyloxetane has a molecular weight of 154.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yl-3-prop-1-enyloxetane is sourced from PubChem (CID 71384243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).