(1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane]

C13H20O2 — CID 134895327

IUPAC(1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane]
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C1C2C12OCCO2
InChIInChI=1S/C13H20O2/c1-11(2)8-4-5-12(11,3)10-9(8)13(10)14-6-7-15-13/h8-10H,4-7H2,1-3H3/t8-,9?,10?,12+/m1/s1
InChIKeyBPAKBBUACPDDNX-QARRAHMOSA-N
MW208.30 g/mol
LogP2.43
Rot. Bonds

About (1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane]

(1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane] (PubChem CID 134895327) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane].

Molecular Properties

Compound Name(1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane]
PubChem CID134895327
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane]
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C1C2C12OCCO2
InChIInChI=1S/C13H20O2/c1-11(2)8-4-5-12(11,3)10-9(8)13(10)14-6-7-15-13/h8-10H,4-7H2,1-3H3/t8-,9?,10?,12+/m1/s1
InChIKeyBPAKBBUACPDDNX-QARRAHMOSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane]?
The IUPAC name of (1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane] (CID 134895327) is (1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane].
What is the SMILES notation for (1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane]?
The canonical SMILES for (1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane] is CC1(C)[C@@H]2CC[C@@]1(C)C1C2C12OCCO2.
What is the InChIKey of (1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane]?
The InChIKey is BPAKBBUACPDDNX-QARRAHMOSA-N. The full InChI is InChI=1S/C13H20O2/c1-11(2)8-4-5-12(11,3)10-9(8)13(10)14-6-7-15-13/h8-10H,4-7H2,1-3H3/t8-,9?,10?,12+/m1/s1.
What are the key properties of (1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane]?
(1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane] has a molecular weight of 208.30 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5'R)-1',8',8'-trimethylspiro[1,3-dioxolane-2,3'-tricyclo[3.2.1.02,4]octane] is sourced from PubChem (CID 134895327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).