spiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]

C10H12O2 — CID 90455285

IUPACspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]
SMILESC1=CC2=C(C1)CCC21OCCO1
InChIInChI=1S/C10H12O2/c1-2-8-4-5-10(9(8)3-1)11-6-7-12-10/h1,3H,2,4-7H2
InChIKeyKCFGVDKYNZKXHI-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.78
Rot. Bonds

About spiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]

spiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene] (PubChem CID 90455285) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]
PubChem CID90455285
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Namespiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]
SMILESC1=CC2=C(C1)CCC21OCCO1
InChIInChI=1S/C10H12O2/c1-2-8-4-5-10(9(8)3-1)11-6-7-12-10/h1,3H,2,4-7H2
InChIKeyKCFGVDKYNZKXHI-UHFFFAOYSA-N
XLogP1.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.78
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-2,3'-2,6-dihydro-1H-pentalene]?
The IUPAC name of spiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene] (CID 90455285) is spiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene].
What is the SMILES notation for spiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]?
The canonical SMILES for spiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene] is C1=CC2=C(C1)CCC21OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]?
The InChIKey is KCFGVDKYNZKXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-8-4-5-10(9(8)3-1)11-6-7-12-10/h1,3H,2,4-7H2.
What are the key properties of spiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]?
spiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene] has a molecular weight of 164.20 g/mol, XLogP of 1.78, 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-2,3'-2,6-dihydro-1H-pentalene] is sourced from PubChem (CID 90455285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).