(2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane

C16H22O2 — CID 101015711

IUPAC(2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane
SMILESCC1(C)COC2(C[C@H]2CCc2ccccc2)OC1
InChIInChI=1S/C16H22O2/c1-15(2)11-17-16(18-12-15)10-14(16)9-8-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/t14-/m1/s1
InChIKeyQHPABDASCLWNRB-CQSZACIVSA-N
MW246.35 g/mol
LogP3.41
Rot. Bonds3

About (2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane

(2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane (PubChem CID 101015711) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name(2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane
PubChem CID101015711
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane
SMILESCC1(C)COC2(C[C@H]2CCc2ccccc2)OC1
InChIInChI=1S/C16H22O2/c1-15(2)11-17-16(18-12-15)10-14(16)9-8-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/t14-/m1/s1
InChIKeyQHPABDASCLWNRB-CQSZACIVSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
CID 15482722
8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 91222787
2-(bromomethyl)-4,4-dimethyl-1-(2-phenylethyl)-2,3-dihydropyrrol-1-ium bromide
CID 134925079
[1-isocyano-2-(2-phenylethyl)cyclopropyl]methanol
CID 88562427
2-benzyl-4,4-dimethyloxolane
CID 102308399
(2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene
CID 102494127
[2,6,6-trimethyl-5-(2-phenylethyl)oxasilinan-2-yl]oxysilane
CID 175017688
9-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-ol
CID 118113177
1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547857
[(1R,2R)-2-methyl-2-(2-phenylethyl)cyclopropyl]methanol
CID 10535692
1-[3-(2-phenylethyl)oxiran-2-yl]ethanone
CID 12794803
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749

Frequently Asked Questions

What is the IUPAC name of (2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane?
The IUPAC name of (2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane (CID 101015711) is (2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane.
What is the SMILES notation for (2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane?
The canonical SMILES for (2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane is CC1(C)COC2(C[C@H]2CCc2ccccc2)OC1.
What is the InChIKey of (2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane?
The InChIKey is QHPABDASCLWNRB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22O2/c1-15(2)11-17-16(18-12-15)10-14(16)9-8-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane?
(2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane has a molecular weight of 246.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane is sourced from PubChem (CID 101015711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).