9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene

C16H26O2 — CID 2855764

IUPAC9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene
SMILESCC1=CC(C)C2(COC3(CCCC3)OC2)C(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
InChIKeyCVRCHHRUSASDOO-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.91
Rot. Bonds

About 9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene

9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene (PubChem CID 2855764) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene.

Molecular Properties

Compound Name9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene
PubChem CID2855764
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene
SMILESCC1=CC(C)C2(COC3(CCCC3)OC2)C(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
InChIKeyCVRCHHRUSASDOO-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene?
The IUPAC name of 9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene (CID 2855764) is 9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene.
What is the SMILES notation for 9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene?
The canonical SMILES for 9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene is CC1=CC(C)C2(COC3(CCCC3)OC2)C(C)C1.
What is the InChIKey of 9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene?
The InChIKey is CVRCHHRUSASDOO-UHFFFAOYSA-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.
What are the key properties of 9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene?
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 9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene is sourced from PubChem (CID 2855764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).