3-(2,2-dimethylpropyl)spiro[5.5]undecane

C16H30 — CID 140695301

IUPAC3-(2,2-dimethylpropyl)spiro[5.5]undecane
SMILESCC(C)(C)CC1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H30/c1-15(2,3)13-14-7-11-16(12-8-14)9-5-4-6-10-16/h14H,4-13H2,1-3H3
InChIKeyOEKRNPIQTBZZES-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.56
Rot. Bonds1

About 3-(2,2-dimethylpropyl)spiro[5.5]undecane

3-(2,2-dimethylpropyl)spiro[5.5]undecane (PubChem CID 140695301) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)spiro[5.5]undecane.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)spiro[5.5]undecane
PubChem CID140695301
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name3-(2,2-dimethylpropyl)spiro[5.5]undecane
SMILESCC(C)(C)CC1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H30/c1-15(2,3)13-14-7-11-16(12-8-14)9-5-4-6-10-16/h14H,4-13H2,1-3H3
InChIKeyOEKRNPIQTBZZES-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane
CID 171445187
3-propylspiro[5.6]dodecane
CID 163613469
spiro[5.5]undecan-3-ylmethylazanium
CID 58073628
2-(2,2-dimethylpropyl)spiro[3.3]heptane
CID 140612166
N-methyl-1-spiro[5.5]undecan-3-ylmethanamine
CID 83907913
8-(2,2-dimethylpropyl)spiro[3.5]nonane
CID 140644547
2-spiro[4.5]decan-8-ylethanol
CID 126844404
12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
7-propylspiro[3.5]nonane
CID 144910869
2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
CID 167591215
spiro[5.6]dodecan-3-amine
CID 56639662
3-methylspiro[5.6]dodecane
CID 143797283

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)spiro[5.5]undecane?
The IUPAC name of 3-(2,2-dimethylpropyl)spiro[5.5]undecane (CID 140695301) is 3-(2,2-dimethylpropyl)spiro[5.5]undecane.
What is the SMILES notation for 3-(2,2-dimethylpropyl)spiro[5.5]undecane?
The canonical SMILES for 3-(2,2-dimethylpropyl)spiro[5.5]undecane is CC(C)(C)CC1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)spiro[5.5]undecane?
The InChIKey is OEKRNPIQTBZZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-15(2,3)13-14-7-11-16(12-8-14)9-5-4-6-10-16/h14H,4-13H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)spiro[5.5]undecane?
3-(2,2-dimethylpropyl)spiro[5.5]undecane has a molecular weight of 222.42 g/mol, XLogP of 5.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)spiro[5.5]undecane is sourced from PubChem (CID 140695301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).