10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one

C13H14O3 — CID 552159

IUPAC10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one
SMILESO=C1C2C=CC1C1C=CC2C1C1OCCO1
InChIInChI=1S/C13H14O3/c14-12-9-3-4-10(12)8-2-1-7(9)11(8)13-15-5-6-16-13/h1-4,7-11,13H,5-6H2
InChIKeyWZMSFTOPMGYLKL-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.16
Rot. Bonds1

About 10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one

10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one (PubChem CID 552159) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one.

Molecular Properties

Compound Name10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one
PubChem CID552159
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one
SMILESO=C1C2C=CC1C1C=CC2C1C1OCCO1
InChIInChI=1S/C13H14O3/c14-12-9-3-4-10(12)8-2-1-7(9)11(8)13-15-5-6-16-13/h1-4,7-11,13H,5-6H2
InChIKeyWZMSFTOPMGYLKL-UHFFFAOYSA-N
XLogP1.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 129646722
CID 129646722
CID 559244
CID 559244
CID 71349525
CID 71349525

Frequently Asked Questions

What is the IUPAC name of 10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one?
The IUPAC name of 10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one (CID 552159) is 10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one.
What is the SMILES notation for 10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one?
The canonical SMILES for 10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one is O=C1C2C=CC1C1C=CC2C1C1OCCO1.
What is the InChIKey of 10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one?
The InChIKey is WZMSFTOPMGYLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-12-9-3-4-10(12)8-2-1-7(9)11(8)13-15-5-6-16-13/h1-4,7-11,13H,5-6H2.
What are the key properties of 10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one?
10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one has a molecular weight of 218.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one is sourced from PubChem (CID 552159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).