5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane

C21H40 — CID 123310491

IUPAC5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane
SMILESCC(C)C1CC2CCCC(C(C)(C)C)CCCC(CC2)C1
InChIInChI=1S/C21H40/c1-16(2)19-14-17-8-6-10-20(21(3,4)5)11-7-9-18(15-19)13-12-17/h16-20H,6-15H2,1-5H3
InChIKeyXBYSZSQXRWTVJY-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.08
Rot. Bonds1

About 5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane

5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane (PubChem CID 123310491) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane.

Molecular Properties

Compound Name5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane
PubChem CID123310491
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane
SMILESCC(C)C1CC2CCCC(C(C)(C)C)CCCC(CC2)C1
InChIInChI=1S/C21H40/c1-16(2)19-14-17-8-6-10-20(21(3,4)5)11-7-9-18(15-19)13-12-17/h16-20H,6-15H2,1-5H3
InChIKeyXBYSZSQXRWTVJY-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopropane;1-cyclopropylethylcyclopropane
CID 157166349
3-tert-butyloxolane;ethane;propan-2-ylcyclobutane
CID 160519713
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
1,3-ditert-butylcyclohexane;sulfane
CID 159387743
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
tert-butylcyclopentadecane
CID 164774831
3-propan-2-ylbicyclo[3.1.1]heptane
CID 59796479
(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
CID 146632246
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
CID 160918064
4-tert-butyl-N-propan-2-ylcycloheptan-1-amine
CID 65090392
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane?
The IUPAC name of 5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane (CID 123310491) is 5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane.
What is the SMILES notation for 5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane?
The canonical SMILES for 5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane is CC(C)C1CC2CCCC(C(C)(C)C)CCCC(CC2)C1.
What is the InChIKey of 5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane?
The InChIKey is XBYSZSQXRWTVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-16(2)19-14-17-8-6-10-20(21(3,4)5)11-7-9-18(15-19)13-12-17/h16-20H,6-15H2,1-5H3.
What are the key properties of 5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane?
5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane has a molecular weight of 292.55 g/mol, XLogP of 7.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane is sourced from PubChem (CID 123310491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).