1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]

C15H26 — CID 139233774

IUPAC1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]
SMILES[2H]CCC1(C[2H])CC2(CCC3CC2C3(C)C)C1
InChIInChI=1S/C15H26/c1-5-14(4)9-15(10-14)7-6-11-8-12(15)13(11,2)3/h11-12H,5-10H2,1-4H3/i1D,4D
InChIKeyHCEPQCHRYAKDPQ-DRSKVUCWSA-N
MW208.39 g/mol
LogP4.64
Rot. Bonds3

About 1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]

1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane] (PubChem CID 139233774) has the molecular formula C15H26 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane].

Molecular Properties

Compound Name1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]
PubChem CID139233774
Molecular FormulaC15H26
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]
SMILES[2H]CCC1(C[2H])CC2(CCC3CC2C3(C)C)C1
InChIInChI=1S/C15H26/c1-5-14(4)9-15(10-14)7-6-11-8-12(15)13(11,2)3/h11-12H,5-10H2,1-4H3/i1D,4D
InChIKeyHCEPQCHRYAKDPQ-DRSKVUCWSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane] with MolForge

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Related Compounds

Pinane
CID 10129
Pinane, cis-(+)-
CID 10953595
cis-Pinane
CID 10969850
(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 17755566
(+-)-cis-Pinane
CID 6429433
(1R,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 11051725
Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-
CID 12314300
Methylcubane
CID 13245707
2,6,6-Trimethyl-bicyclo(3.1.1)heptane, trans
CID 91015300
Basketane
CID 12496332
6,6-Dimethylbicyclo(3.1.1)heptane
CID 12313439
6,6-Dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]
CID 12712158

Frequently Asked Questions

What is the IUPAC name of 1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]?
The IUPAC name of 1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane] (CID 139233774) is 1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane].
What is the SMILES notation for 1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]?
The canonical SMILES for 1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane] is [2H]CCC1(C[2H])CC2(CCC3CC2C3(C)C)C1.
What is the InChIKey of 1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]?
The InChIKey is HCEPQCHRYAKDPQ-DRSKVUCWSA-N. The full InChI is InChI=1S/C15H26/c1-5-14(4)9-15(10-14)7-6-11-8-12(15)13(11,2)3/h11-12H,5-10H2,1-4H3/i1D,4D.
What are the key properties of 1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]?
1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane] has a molecular weight of 208.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-deuterioethyl)-1'-(deuteriomethyl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane] is sourced from PubChem (CID 139233774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).