(9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene

C16H26O2 — CID 872555

IUPAC(9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene
SMILESCC1=C[C@@H](C)C2(COC3(CCCC3)OC2)[C@@H](C)C1
InChIInChI=1S/C16H26O2/c1-12-8-13(2)15(14(3)9-12)10-17-16(18-11-15)6-4-5-7-16/h8,13-14H,4-7,9-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyCVRCHHRUSASDOO-KGLIPLIRSA-N
MW250.38 g/mol
LogP3.91
Rot. Bonds

About (9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene

(9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene (PubChem CID 872555) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene.

Molecular Properties

Compound Name(9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene
PubChem CID872555
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene
SMILESCC1=C[C@@H](C)C2(COC3(CCCC3)OC2)[C@@H](C)C1
InChIInChI=1S/C16H26O2/c1-12-8-13(2)15(14(3)9-12)10-17-16(18-11-15)6-4-5-7-16/h8,13-14H,4-7,9-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyCVRCHHRUSASDOO-KGLIPLIRSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethyl-8,11(or 9,11)-dimethyl-
CID 172844
5-Sec-butyl-2-(4,6-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
CID 139415167
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
1,3-Dioxane, 2-[(1R,2S)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363675
3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 764102
5-Methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
CID 3115171
4-Methyl-2-(2,4,6-trimethyl-3-cyclohexenyl)-1,3-dioxane
CID 3115172
4,4,6-Trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
CID 3115173
7,9,11-Trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-8-ene
CID 3772919

Frequently Asked Questions

What is the IUPAC name of (9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene?
The IUPAC name of (9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene (CID 872555) is (9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene.
What is the SMILES notation for (9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene?
The canonical SMILES for (9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene is CC1=C[C@@H](C)C2(COC3(CCCC3)OC2)[C@@H](C)C1.
What is the InChIKey of (9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene?
The InChIKey is CVRCHHRUSASDOO-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H26O2/c1-12-8-13(2)15(14(3)9-12)10-17-16(18-11-15)6-4-5-7-16/h8,13-14H,4-7,9-11H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene?
(9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene has a molecular weight of 250.38 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene is sourced from PubChem (CID 872555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).