(7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene

C15H26O2 — CID 928245

IUPAC(7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=C[C@@H](C)C2(COC(C(C)C)OC2)[C@H](C)C1
InChIInChI=1S/C15H26O2/c1-10(2)14-16-8-15(9-17-14)12(4)6-11(3)7-13(15)5/h6,10,12-14H,7-9H2,1-5H3/t12-,13-,14?,15?/m1/s1
InChIKeyGKZOSXMXUANXRV-LMRVLLHPSA-N
MW238.37 g/mol
LogP3.62
Rot. Bonds1

About (7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene

(7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene (PubChem CID 928245) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name(7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene
PubChem CID928245
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=C[C@@H](C)C2(COC(C(C)C)OC2)[C@H](C)C1
InChIInChI=1S/C15H26O2/c1-10(2)14-16-8-15(9-17-14)12(4)6-11(3)7-13(15)5/h6,10,12-14H,7-9H2,1-5H3/t12-,13-,14?,15?/m1/s1
InChIKeyGKZOSXMXUANXRV-LMRVLLHPSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene with MolForge

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Related Compounds

1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-
CID 16070752
2,4-Dioxaspiro[5.5]undec-8-ene, 3-(3-cyclohexen-1-yl)-
CID 13782871
3-(3-Cyclohexenyl)-2,4-dioxaspiro(5.5)undec-8-ene
CID 15756
2-(2,6-Dimethyl-5-heptenyl)-4-methyl-1,3-dioxane
CID 228644
2,4-Dioxaspiro[5.5]undec-8-ene, 3-ethyl-
CID 116562
2,4-Dioxaspiro(5.5)undec-8-ene, 3-ethyl-8,11(or 9,11)-dimethyl-
CID 172844
1-Methoxy-7,9-dimethyl-2-oxaspiro[5.5]undec-8-ene
CID 66600706
5-Sec-butyl-2-(4,6-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
CID 139415167
Cyclohexene, 4-(dimethoxymethyl)-1,3-dimethyl-
CID 21156084
1,3-Dioxane, 2-[(1R,2R)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363669
1,3-Dioxane, 2-[(1S,2S)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363673
1,3-Dioxane, 2-[(1S,2R)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363674

Frequently Asked Questions

What is the IUPAC name of (7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene?
The IUPAC name of (7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene (CID 928245) is (7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene.
What is the SMILES notation for (7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene?
The canonical SMILES for (7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene is CC1=C[C@@H](C)C2(COC(C(C)C)OC2)[C@H](C)C1.
What is the InChIKey of (7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene?
The InChIKey is GKZOSXMXUANXRV-LMRVLLHPSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)14-16-8-15(9-17-14)12(4)6-11(3)7-13(15)5/h6,10,12-14H,7-9H2,1-5H3/t12-,13-,14?,15?/m1/s1.
What are the key properties of (7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene?
(7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene has a molecular weight of 238.37 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 928245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).