spiro[adamantane-2,1'-cyclopropane]

C12H18 — CID 91130175

IUPACspiro[adamantane-2,1'-cyclopropane]
SMILESC1C2CC3CC1CC(C2)C31CC1
InChIInChI=1S/C12H18/c1-2-12(1)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,1-7H2
InChIKeyZYIPFTBWBGOVBV-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.22
Rot. Bonds

About spiro[adamantane-2,1'-cyclopropane]

spiro[adamantane-2,1'-cyclopropane] (PubChem CID 91130175) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is spiro[adamantane-2,1'-cyclopropane].

Molecular Properties

Compound Namespiro[adamantane-2,1'-cyclopropane]
PubChem CID91130175
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Namespiro[adamantane-2,1'-cyclopropane]
SMILESC1C2CC3CC1CC(C2)C31CC1
InChIInChI=1S/C12H18/c1-2-12(1)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,1-7H2
InChIKeyZYIPFTBWBGOVBV-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of spiro[adamantane-2,1'-cyclopropane]?
The IUPAC name of spiro[adamantane-2,1'-cyclopropane] (CID 91130175) is spiro[adamantane-2,1'-cyclopropane].
What is the SMILES notation for spiro[adamantane-2,1'-cyclopropane]?
The canonical SMILES for spiro[adamantane-2,1'-cyclopropane] is C1C2CC3CC1CC(C2)C31CC1.
What is the InChIKey of spiro[adamantane-2,1'-cyclopropane]?
The InChIKey is ZYIPFTBWBGOVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-2-12(1)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,1-7H2.
What are the key properties of spiro[adamantane-2,1'-cyclopropane]?
spiro[adamantane-2,1'-cyclopropane] has a molecular weight of 162.28 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 spiro[adamantane-2,1'-cyclopropane] is sourced from PubChem (CID 91130175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).