1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane]

C16H26 — CID 12720712

IUPAC1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane]
SMILESCC1(C)C(C)(C)C12C1CC3CC(C1)CC2C3
InChIInChI=1S/C16H26/c1-14(2)15(3,4)16(14)12-6-10-5-11(8-12)9-13(16)7-10/h10-13H,5-9H2,1-4H3
InChIKeyJLDXSNGYQIWCEI-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.49
Rot. Bonds

About 1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane]

1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane] (PubChem CID 12720712) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane].

Molecular Properties

Compound Name1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane]
PubChem CID12720712
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane]
SMILESCC1(C)C(C)(C)C12C1CC3CC(C1)CC2C3
InChIInChI=1S/C16H26/c1-14(2)15(3,4)16(14)12-6-10-5-11(8-12)9-13(16)7-10/h10-13H,5-9H2,1-4H3
InChIKeyJLDXSNGYQIWCEI-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane]?
The IUPAC name of 1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane] (CID 12720712) is 1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane].
What is the SMILES notation for 1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane]?
The canonical SMILES for 1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane] is CC1(C)C(C)(C)C12C1CC3CC(C1)CC2C3.
What is the InChIKey of 1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane]?
The InChIKey is JLDXSNGYQIWCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-14(2)15(3,4)16(14)12-6-10-5-11(8-12)9-13(16)7-10/h10-13H,5-9H2,1-4H3.
What are the key properties of 1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane]?
1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane] has a molecular weight of 218.38 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1',2',2'-tetramethylspiro[adamantane-2,3'-cyclopropane] is sourced from PubChem (CID 12720712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).