spiro[bicyclo[2.2.1]heptane-2,2'-oxolane]

C10H16O — CID 165155234

IUPACspiro[bicyclo[2.2.1]heptane-2,2'-oxolane]
SMILESC1COC2(C1)CC1CCC2C1
InChIInChI=1S/C10H16O/c1-4-10(11-5-1)7-8-2-3-9(10)6-8/h8-9H,1-7H2
InChIKeyJORMGEMMCVJXQC-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.36
Rot. Bonds

About spiro[bicyclo[2.2.1]heptane-2,2'-oxolane]

spiro[bicyclo[2.2.1]heptane-2,2'-oxolane] (PubChem CID 165155234) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is spiro[bicyclo[2.2.1]heptane-2,2'-oxolane].

Molecular Properties

Compound Namespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]
PubChem CID165155234
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]
SMILESC1COC2(C1)CC1CCC2C1
InChIInChI=1S/C10H16O/c1-4-10(11-5-1)7-8-2-3-9(10)6-8/h8-9H,1-7H2
InChIKeyJORMGEMMCVJXQC-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[2.2.1]heptane-2,2'-oxolane]?
The IUPAC name of spiro[bicyclo[2.2.1]heptane-2,2'-oxolane] (CID 165155234) is spiro[bicyclo[2.2.1]heptane-2,2'-oxolane].
What is the SMILES notation for spiro[bicyclo[2.2.1]heptane-2,2'-oxolane]?
The canonical SMILES for spiro[bicyclo[2.2.1]heptane-2,2'-oxolane] is C1COC2(C1)CC1CCC2C1.
What is the InChIKey of spiro[bicyclo[2.2.1]heptane-2,2'-oxolane]?
The InChIKey is JORMGEMMCVJXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-10(11-5-1)7-8-2-3-9(10)6-8/h8-9H,1-7H2.
What are the key properties of spiro[bicyclo[2.2.1]heptane-2,2'-oxolane]?
spiro[bicyclo[2.2.1]heptane-2,2'-oxolane] has a molecular weight of 152.24 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[2.2.1]heptane-2,2'-oxolane] is sourced from PubChem (CID 165155234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).