4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]

C12H14O2 — CID 10655331

IUPAC4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]
SMILES[2H]c1cccc2c1OC1(CCCCC1)O2
InChIInChI=1S/C12H14O2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2/i6D
InChIKeySPXULWFZNXFRHI-RAMDWTOOSA-N
MW191.25 g/mol
LogP3.12
Rot. Bonds

About 4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]

4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane] (PubChem CID 10655331) has the molecular formula C12H14O2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane].

Molecular Properties

Compound Name4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]
PubChem CID10655331
Molecular FormulaC12H14O2
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]
SMILES[2H]c1cccc2c1OC1(CCCCC1)O2
InChIInChI=1S/C12H14O2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2/i6D
InChIKeySPXULWFZNXFRHI-RAMDWTOOSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[1,3-benzodioxine-2,1'-cyclooctane]-4-one
CID 172559881
spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one
CID 155387781
spiro[2H-1,4-benzodioxine-3,1'-cyclohexane]
CID 45122018
tri(spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-yl)bismuthane
CID 10842932
spiro[3,4-dihydrochromene-2,2'-oxane]
CID 25016653
5-bromospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 15700682
copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane]
CID 15970108
1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine]
CID 545804
5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one
CID 171601557
2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol
CID 117373853
1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol
CID 14809017
1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine
CID 84794385

Frequently Asked Questions

What is the IUPAC name of 4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]?
The IUPAC name of 4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane] (CID 10655331) is 4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane].
What is the SMILES notation for 4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]?
The canonical SMILES for 4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane] is [2H]c1cccc2c1OC1(CCCCC1)O2.
What is the InChIKey of 4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]?
The InChIKey is SPXULWFZNXFRHI-RAMDWTOOSA-N. The full InChI is InChI=1S/C12H14O2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2/i6D.
What are the key properties of 4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]?
4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane] has a molecular weight of 191.25 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane] is sourced from PubChem (CID 10655331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).