(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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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).