3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol

C12H14O2 — CID 130128997

IUPAC3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol
SMILESCC1(C)c2ccccc2C2OC2C1O
InChIInChI=1S/C12H14O2/c1-12(2)8-6-4-3-5-7(8)9-10(14-9)11(12)13/h3-6,9-11,13H,1-2H3
InChIKeyZMLZPIZLQMYTRC-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.78
Rot. Bonds

About 3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol

3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol (PubChem CID 130128997) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol
PubChem CID130128997
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol
SMILESCC1(C)c2ccccc2C2OC2C1O
InChIInChI=1S/C12H14O2/c1-12(2)8-6-4-3-5-7(8)9-10(14-9)11(12)13/h3-6,9-11,13H,1-2H3
InChIKeyZMLZPIZLQMYTRC-UHFFFAOYSA-N
XLogP1.78
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-ol
CID 7103216
1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene
CID 172640775
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CID 45117222
(1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
CID 98543355
(1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene
CID 102270310
(1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride
CID 162316189
(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
CID 125481717
(3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole
CID 59919109

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol?
The IUPAC name of 3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol (CID 130128997) is 3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol.
What is the SMILES notation for 3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol?
The canonical SMILES for 3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol is CC1(C)c2ccccc2C2OC2C1O.
What is the InChIKey of 3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol?
The InChIKey is ZMLZPIZLQMYTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(2)8-6-4-3-5-7(8)9-10(14-9)11(12)13/h3-6,9-11,13H,1-2H3.
What are the key properties of 3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol?
3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol has a molecular weight of 190.24 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol is sourced from PubChem (CID 130128997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).