1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]

C15H18O2 — CID 20610107

IUPAC1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]
SMILESc1ccc(C23CCC4(CC2C3)OCCO4)cc1
InChIInChI=1S/C15H18O2/c1-2-4-12(5-3-1)14-6-7-15(11-13(14)10-14)16-8-9-17-15/h1-5,13H,6-11H2
InChIKeyDRBBLIJOYRBAPT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds1

About 1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]

1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane] (PubChem CID 20610107) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane].

Molecular Properties

Compound Name1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]
PubChem CID20610107
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]
SMILESc1ccc(C23CCC4(CC2C3)OCCO4)cc1
InChIInChI=1S/C15H18O2/c1-2-4-12(5-3-1)14-6-7-15(11-13(14)10-14)16-8-9-17-15/h1-5,13H,6-11H2
InChIKeyDRBBLIJOYRBAPT-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]?
The IUPAC name of 1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane] (CID 20610107) is 1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane].
What is the SMILES notation for 1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]?
The canonical SMILES for 1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane] is c1ccc(C23CCC4(CC2C3)OCCO4)cc1.
What is the InChIKey of 1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]?
The InChIKey is DRBBLIJOYRBAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-4-12(5-3-1)14-6-7-15(11-13(14)10-14)16-8-9-17-15/h1-5,13H,6-11H2.
What are the key properties of 1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]?
1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane] has a molecular weight of 230.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-phenylspiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane] is sourced from PubChem (CID 20610107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).