ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane

C15H30 — CID 163598600

IUPACethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane
SMILESCC.CC(C)C1C(C)CC2CC1C2(C)C
InChIInChI=1S/C13H24.C2H6/c1-8(2)12-9(3)6-10-7-11(12)13(10,4)5;1-2/h8-12H,6-7H2,1-5H3;1-2H3
InChIKeyGVQIERZCEJUXPS-UHFFFAOYSA-N
MW210.40 g/mol
LogP4.99
Rot. Bonds1

About ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane

ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane (PubChem CID 163598600) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Nameethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane
PubChem CID163598600
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Nameethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane
SMILESCC.CC(C)C1C(C)CC2CC1C2(C)C
InChIInChI=1S/C13H24.C2H6/c1-8(2)12-9(3)6-10-7-11(12)13(10,4)5;1-2/h8-12H,6-7H2,1-5H3;1-2H3
InChIKeyGVQIERZCEJUXPS-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 10450064
CID 10450064
dichloro-[(1R,2R,3R,5R)-6,6-dimethyl-2-propan-2-yl-3-bicyclo[3.1.1]heptanyl]borane
CID 134978873
(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium
CID 157116099
2,6,6-trimethyl-3-propan-2-ylbicyclo[3.1.1]heptane
CID 59658228
(1R,2S,5R)-2,6,6-trimethyl-3-propan-2-ylbicyclo[3.1.1]heptane
CID 140665995
(1S,2R,3R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)bicyclo[3.1.1]heptane;(1S,2S,3S,4R)-2,3-di(propan-2-yl)bicyclo[2.2.1]heptane;ethane;propane;yttrium
CID 161036443
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
1-[(1S,2R,3S,5R)-6,6-dimethyl-3-sulfanyl-2-bicyclo[3.1.1]heptanyl]ethanol
CID 172676182
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433

Frequently Asked Questions

What is the IUPAC name of ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane?
The IUPAC name of ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane (CID 163598600) is ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane.
What is the SMILES notation for ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane?
The canonical SMILES for ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane is CC.CC(C)C1C(C)CC2CC1C2(C)C.
What is the InChIKey of ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane?
The InChIKey is GVQIERZCEJUXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.C2H6/c1-8(2)12-9(3)6-10-7-11(12)13(10,4)5;1-2/h8-12H,6-7H2,1-5H3;1-2H3.
What are the key properties of ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane?
ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane has a molecular weight of 210.40 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane is sourced from PubChem (CID 163598600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).