(1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane

C17H28O2 — CID 71352495

IUPAC(1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane
SMILESC[C@@H]1[C@H](C2=CCCCCCC2)C12OCC(C)(C)CO2
InChIInChI=1S/C17H28O2/c1-13-15(14-9-7-5-4-6-8-10-14)17(13)18-11-16(2,3)12-19-17/h9,13,15H,4-8,10-12H2,1-3H3/t13-,15-/m1/s1
InChIKeyXWUKCGYEFUMMCI-UKRRQHHQSA-N
MW264.41 g/mol
LogP4.30
Rot. Bonds1

About (1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane

(1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane (PubChem CID 71352495) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name(1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane
PubChem CID71352495
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane
SMILESC[C@@H]1[C@H](C2=CCCCCCC2)C12OCC(C)(C)CO2
InChIInChI=1S/C17H28O2/c1-13-15(14-9-7-5-4-6-8-10-14)17(13)18-11-16(2,3)12-19-17/h9,13,15H,4-8,10-12H2,1-3H3/t13-,15-/m1/s1
InChIKeyXWUKCGYEFUMMCI-UKRRQHHQSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 70500899
1-(3,4-dimethylcyclopentyl)cycloheptene
CID 153303899
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
CID 141390482
(1E)-1-cyclohexylcyclodecene
CID 139760930
9-(cyclohexen-1-yl)-1,7-dioxaspiro[4.4]nonan-8-one
CID 102482596
1-cyclopenta-2,4-dien-1-ylcycloheptene
CID 163288981
(3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene
CID 163531079
2-(cyclohexen-1-yl)-1,3-dioxane
CID 57103168
1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone
CID 71527330
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane?
The IUPAC name of (1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane (CID 71352495) is (1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane.
What is the SMILES notation for (1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane?
The canonical SMILES for (1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane is C[C@@H]1[C@H](C2=CCCCCCC2)C12OCC(C)(C)CO2.
What is the InChIKey of (1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane?
The InChIKey is XWUKCGYEFUMMCI-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H28O2/c1-13-15(14-9-7-5-4-6-8-10-14)17(13)18-11-16(2,3)12-19-17/h9,13,15H,4-8,10-12H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of (1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane?
(1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane has a molecular weight of 264.41 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane is sourced from PubChem (CID 71352495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).