cyclopentanol;3-methyl-3-propan-2-yloxetane

C12H24O2 — CID 160986666

IUPACcyclopentanol;3-methyl-3-propan-2-yloxetane
SMILESCC(C)C1(C)COC1.OC1CCCC1
InChIInChI=1S/C7H14O.C5H10O/c1-6(2)7(3)4-8-5-7;6-5-3-1-2-4-5/h6H,4-5H2,1-3H3;5-6H,1-4H2
InChIKeyTUBLGFKUGHUMKV-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds1

About cyclopentanol;3-methyl-3-propan-2-yloxetane

cyclopentanol;3-methyl-3-propan-2-yloxetane (PubChem CID 160986666) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is cyclopentanol;3-methyl-3-propan-2-yloxetane.

Molecular Properties

Compound Namecyclopentanol;3-methyl-3-propan-2-yloxetane
PubChem CID160986666
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Namecyclopentanol;3-methyl-3-propan-2-yloxetane
SMILESCC(C)C1(C)COC1.OC1CCCC1
InChIInChI=1S/C7H14O.C5H10O/c1-6(2)7(3)4-8-5-7;6-5-3-1-2-4-5/h6H,4-5H2,1-3H3;5-6H,1-4H2
InChIKeyTUBLGFKUGHUMKV-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentanol;3-methyl-3-propan-2-yloxetane?
The IUPAC name of cyclopentanol;3-methyl-3-propan-2-yloxetane (CID 160986666) is cyclopentanol;3-methyl-3-propan-2-yloxetane.
What is the SMILES notation for cyclopentanol;3-methyl-3-propan-2-yloxetane?
The canonical SMILES for cyclopentanol;3-methyl-3-propan-2-yloxetane is CC(C)C1(C)COC1.OC1CCCC1.
What is the InChIKey of cyclopentanol;3-methyl-3-propan-2-yloxetane?
The InChIKey is TUBLGFKUGHUMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C5H10O/c1-6(2)7(3)4-8-5-7;6-5-3-1-2-4-5/h6H,4-5H2,1-3H3;5-6H,1-4H2.
What are the key properties of cyclopentanol;3-methyl-3-propan-2-yloxetane?
cyclopentanol;3-methyl-3-propan-2-yloxetane has a molecular weight of 200.32 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanol;3-methyl-3-propan-2-yloxetane is sourced from PubChem (CID 160986666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).