6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]

C11H18 — CID 12712158

IUPAC6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]
SMILESCC1(C)C2CCC3(CC3)C1C2
InChIInChI=1S/C11H18/c1-10(2)8-3-4-11(5-6-11)9(10)7-8/h8-9H,3-7H2,1-2H3
InChIKeyVZNJQQBCMQRIIO-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.22
Rot. Bonds

About 6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]

6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane] (PubChem CID 12712158) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is 6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane].

Molecular Properties

Compound Name6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]
PubChem CID12712158
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]
SMILESCC1(C)C2CCC3(CC3)C1C2
InChIInChI=1S/C11H18/c1-10(2)8-3-4-11(5-6-11)9(10)7-8/h8-9H,3-7H2,1-2H3
InChIKeyVZNJQQBCMQRIIO-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]?
The IUPAC name of 6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane] (CID 12712158) is 6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane].
What is the SMILES notation for 6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]?
The canonical SMILES for 6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane] is CC1(C)C2CCC3(CC3)C1C2.
What is the InChIKey of 6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]?
The InChIKey is VZNJQQBCMQRIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-10(2)8-3-4-11(5-6-11)9(10)7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]?
6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane] has a molecular weight of 150.27 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane] is sourced from PubChem (CID 12712158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).