3-tert-butyl-4-methylspiro[5.6]dodecane

C17H32 — CID 158157061

IUPAC3-tert-butyl-4-methylspiro[5.6]dodecane
SMILESCC1CC2(CCCCCC2)CCC1C(C)(C)C
InChIInChI=1S/C17H32/c1-14-13-17(10-7-5-6-8-11-17)12-9-15(14)16(2,3)4/h14-15H,5-13H2,1-4H3
InChIKeyGRFOLHXAUXYQHZ-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.81
Rot. Bonds

About 3-tert-butyl-4-methylspiro[5.6]dodecane

3-tert-butyl-4-methylspiro[5.6]dodecane (PubChem CID 158157061) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 3-tert-butyl-4-methylspiro[5.6]dodecane.

Molecular Properties

Compound Name3-tert-butyl-4-methylspiro[5.6]dodecane
PubChem CID158157061
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name3-tert-butyl-4-methylspiro[5.6]dodecane
SMILESCC1CC2(CCCCCC2)CCC1C(C)(C)C
InChIInChI=1S/C17H32/c1-14-13-17(10-7-5-6-8-11-17)12-9-15(14)16(2,3)4/h14-15H,5-13H2,1-4H3
InChIKeyGRFOLHXAUXYQHZ-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-3-methylspiro[4.5]decane
CID 140778087
(8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane
CID 130361478
3-ethyl-4-methylspiro[5.5]undecane
CID 177192246
(2S,3S)-2,3-dimethylspiro[4.4]nonane
CID 58622704
12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
ethane;3-methylspiro[4.4]nonane
CID 168995417
trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
3-methylspiro[5.6]dodecane
CID 143797283
(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251
diphosphanyl-(9-methylspiro[4.5]decan-8-yl)-phosphanylphosphane
CID 59019798
3-(2,2-dimethylpropyl)spiro[5.5]undecane
CID 140695301
6-tert-butylspiro[2.4]heptane
CID 140640828

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methylspiro[5.6]dodecane?
The IUPAC name of 3-tert-butyl-4-methylspiro[5.6]dodecane (CID 158157061) is 3-tert-butyl-4-methylspiro[5.6]dodecane.
What is the SMILES notation for 3-tert-butyl-4-methylspiro[5.6]dodecane?
The canonical SMILES for 3-tert-butyl-4-methylspiro[5.6]dodecane is CC1CC2(CCCCCC2)CCC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-methylspiro[5.6]dodecane?
The InChIKey is GRFOLHXAUXYQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-14-13-17(10-7-5-6-8-11-17)12-9-15(14)16(2,3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 3-tert-butyl-4-methylspiro[5.6]dodecane?
3-tert-butyl-4-methylspiro[5.6]dodecane has a molecular weight of 236.44 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methylspiro[5.6]dodecane is sourced from PubChem (CID 158157061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).