9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]

C16H24O2 — CID 20762830

IUPAC9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]
SMILESCC1C(C)C2CC1C1C3CC(C21)C1(C3)OCCO1
InChIInChI=1S/C16H24O2/c1-8-9(2)12-6-11(8)14-10-5-13(15(12)14)16(7-10)17-3-4-18-16/h8-15H,3-7H2,1-2H3
InChIKeyJXAURRSNJFSRHT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds

About 9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]

9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane] (PubChem CID 20762830) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane].

Molecular Properties

Compound Name9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]
PubChem CID20762830
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]
SMILESCC1C(C)C2CC1C1C3CC(C21)C1(C3)OCCO1
InChIInChI=1S/C16H24O2/c1-8-9(2)12-6-11(8)14-10-5-13(15(12)14)16(7-10)17-3-4-18-16/h8-15H,3-7H2,1-2H3
InChIKeyJXAURRSNJFSRHT-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]?
The IUPAC name of 9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane] (CID 20762830) is 9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane].
What is the SMILES notation for 9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]?
The canonical SMILES for 9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane] is CC1C(C)C2CC1C1C3CC(C21)C1(C3)OCCO1.
What is the InChIKey of 9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]?
The InChIKey is JXAURRSNJFSRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-8-9(2)12-6-11(8)14-10-5-13(15(12)14)16(7-10)17-3-4-18-16/h8-15H,3-7H2,1-2H3.
What are the key properties of 9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]?
9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane] has a molecular weight of 248.37 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9',10'-dimethylspiro[1,3-dioxolane-2,4'-tetracyclo[6.2.1.13,6.02,7]dodecane] is sourced from PubChem (CID 20762830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).