spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]

C10H16O2 — CID 20694722

IUPACspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
SMILESC1CC2CC3(CC2C1)OCCO3
InChIInChI=1S/C10H16O2/c1-2-8-6-10(7-9(8)3-1)11-4-5-12-10/h8-9H,1-7H2
InChIKeyOLHWFGNKRZIYBK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.94
Rot. Bonds

About spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]

spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] (PubChem CID 20694722) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
PubChem CID20694722
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namespiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
SMILESC1CC2CC3(CC2C1)OCCO3
InChIInChI=1S/C10H16O2/c1-2-8-6-10(7-9(8)3-1)11-4-5-12-10/h8-9H,1-7H2
InChIKeyOLHWFGNKRZIYBK-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The IUPAC name of spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] (CID 20694722) is spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene].
What is the SMILES notation for spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The canonical SMILES for spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] is C1CC2CC3(CC2C1)OCCO3.
What is the InChIKey of spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The InChIKey is OLHWFGNKRZIYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-8-6-10(7-9(8)3-1)11-4-5-12-10/h8-9H,1-7H2.
What are the key properties of spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] has a molecular weight of 168.24 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] is sourced from PubChem (CID 20694722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).