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

C11H14O2 — CID 90455275

IUPAC5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]
SMILESCC1=CC2=C(CCC23OCCO3)C1
InChIInChI=1S/C11H14O2/c1-8-6-9-2-3-11(10(9)7-8)12-4-5-13-11/h7H,2-6H2,1H3
InChIKeyCNZXNQLCVKFNQF-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.17
Rot. Bonds

About 5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]

5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene] (PubChem CID 90455275) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene].

Molecular Properties

Compound Name5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]
PubChem CID90455275
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]
SMILESCC1=CC2=C(CCC23OCCO3)C1
InChIInChI=1S/C11H14O2/c1-8-6-9-2-3-11(10(9)7-8)12-4-5-13-11/h7H,2-6H2,1H3
InChIKeyCNZXNQLCVKFNQF-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]?
The IUPAC name of 5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene] (CID 90455275) is 5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene].
What is the SMILES notation for 5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]?
The canonical SMILES for 5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene] is CC1=CC2=C(CCC23OCCO3)C1.
What is the InChIKey of 5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]?
The InChIKey is CNZXNQLCVKFNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-6-9-2-3-11(10(9)7-8)12-4-5-13-11/h7H,2-6H2,1H3.
What are the key properties of 5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]?
5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene] has a molecular weight of 178.23 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene] is sourced from PubChem (CID 90455275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).