(4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane

C17H36 — CID 162284254

IUPAC(4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane
SMILESCC.CC1C(C)(C)C(C)(C)C[C@]1(C)C(C)(C)C
InChIInChI=1S/C15H30.C2H6/c1-11-14(7,8)13(5,6)10-15(11,9)12(2,3)4;1-2/h11H,10H2,1-9H3;1-2H3/t11?,15-;/m0./s1
InChIKeyMZIWXPDYGXKBHO-XEKVDKDVSA-N
MW240.47 g/mol
LogP6.16
Rot. Bonds

About (4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane

(4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane (PubChem CID 162284254) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is (4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane.

Molecular Properties

Compound Name(4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane
PubChem CID162284254
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name(4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane
SMILESCC.CC1C(C)(C)C(C)(C)C[C@]1(C)C(C)(C)C
InChIInChI=1S/C15H30.C2H6/c1-11-14(7,8)13(5,6)10-15(11,9)12(2,3)4;1-2/h11H,10H2,1-9H3;1-2H3/t11?,15-;/m0./s1
InChIKeyMZIWXPDYGXKBHO-XEKVDKDVSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 162285091
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CID 177318359
4-tert-butyl-1,2,3,4-tetramethylpyrrolidine
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1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane
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[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol
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1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane
CID 164958801
1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane
CID 167503016
1,2-ditert-butyl-1-methylcyclopropane
CID 58388728
3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane
CID 170179238
2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane
CID 91521946
cis-(1R,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
CID 23233710
1,5-ditert-butyl-2,2,4,4-tetramethyl-6,7-dithiabicyclo[3.1.1]heptane
CID 15307557

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane?
The IUPAC name of (4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane (CID 162284254) is (4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane.
What is the SMILES notation for (4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane?
The canonical SMILES for (4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane is CC.CC1C(C)(C)C(C)(C)C[C@]1(C)C(C)(C)C.
What is the InChIKey of (4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane?
The InChIKey is MZIWXPDYGXKBHO-XEKVDKDVSA-N. The full InChI is InChI=1S/C15H30.C2H6/c1-11-14(7,8)13(5,6)10-15(11,9)12(2,3)4;1-2/h11H,10H2,1-9H3;1-2H3/t11?,15-;/m0./s1.
What are the key properties of (4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane?
(4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane has a molecular weight of 240.47 g/mol, XLogP of 6.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane is sourced from PubChem (CID 162284254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).