7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene]

C15H20O2 — CID 135039244

IUPAC7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene]
SMILESCC1=CC2C3C=CCC3C1(C)CC21OCCO1
InChIInChI=1S/C15H20O2/c1-10-8-13-11-4-3-5-12(11)14(10,2)9-15(13)16-6-7-17-15/h3-4,8,11-13H,5-7,9H2,1-2H3
InChIKeyJKMJLVUIVHTJFC-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.91
Rot. Bonds

About 7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene]

7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene] (PubChem CID 135039244) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene].

Molecular Properties

Compound Name7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene]
PubChem CID135039244
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene]
SMILESCC1=CC2C3C=CCC3C1(C)CC21OCCO1
InChIInChI=1S/C15H20O2/c1-10-8-13-11-4-3-5-12(11)14(10,2)9-15(13)16-6-7-17-15/h3-4,8,11-13H,5-7,9H2,1-2H3
InChIKeyJKMJLVUIVHTJFC-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.91
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 7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene]?
The IUPAC name of 7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene] (CID 135039244) is 7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene].
What is the SMILES notation for 7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene]?
The canonical SMILES for 7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene] is CC1=CC2C3C=CCC3C1(C)CC21OCCO1.
What is the InChIKey of 7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene]?
The InChIKey is JKMJLVUIVHTJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-8-13-11-4-3-5-12(11)14(10,2)9-15(13)16-6-7-17-15/h3-4,8,11-13H,5-7,9H2,1-2H3.
What are the key properties of 7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene]?
7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene] has a molecular weight of 232.32 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7',8'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.2.02,6]undeca-3,8-diene] is sourced from PubChem (CID 135039244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).