6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane

C17H24O2 — CID 70490295

IUPAC6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane
SMILESCc1ccccc1COC1CCC12CCC(C)(C)O2
InChIInChI=1S/C17H24O2/c1-13-6-4-5-7-14(13)12-18-15-8-9-17(15)11-10-16(2,3)19-17/h4-7,15H,8-12H2,1-3H3
InChIKeyPNNYHTAYYDVXHG-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.00
Rot. Bonds3

About 6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane

6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane (PubChem CID 70490295) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane.

Molecular Properties

Compound Name6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane
PubChem CID70490295
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane
SMILESCc1ccccc1COC1CCC12CCC(C)(C)O2
InChIInChI=1S/C17H24O2/c1-13-6-4-5-7-14(13)12-18-15-8-9-17(15)11-10-16(2,3)19-17/h4-7,15H,8-12H2,1-3H3
InChIKeyPNNYHTAYYDVXHG-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 145185480
(1R,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 98049728
(1S,3S,6S,7S,9S)-1,7-dimethyl-9-[(2-methylphenyl)methoxy]-2-oxatricyclo[4.3.1.03,7]decane
CID 67807049
(1S,2R,4R,5S)-1-methyl-2,5-bis[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571408
4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol
CID 141490838
2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane
CID 70491539
(1S,2R,4R,5S)-5-chloro-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571526
4-[(2-methylphenyl)methoxy]cyclohexan-1-amine
CID 62807392
2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622364
2,2,4-trimethyl-5-[(2-methylphenyl)methoxy]-1,3-dioxane
CID 70594186
N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 70475914
3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane?
The IUPAC name of 6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane (CID 70490295) is 6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane.
What is the SMILES notation for 6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane?
The canonical SMILES for 6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane is Cc1ccccc1COC1CCC12CCC(C)(C)O2.
What is the InChIKey of 6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane?
The InChIKey is PNNYHTAYYDVXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13-6-4-5-7-14(13)12-18-15-8-9-17(15)11-10-16(2,3)19-17/h4-7,15H,8-12H2,1-3H3.
What are the key properties of 6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane?
6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane has a molecular weight of 260.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane is sourced from PubChem (CID 70490295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).