9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane

C17H34 — CID 91591704

IUPAC9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane
SMILESCC.CC.CC1(C)CC2CC1C1CCCCC21
InChIInChI=1S/C13H22.2C2H6/c1-13(2)8-9-7-12(13)11-6-4-3-5-10(9)11;2*1-2/h9-12H,3-8H2,1-2H3;2*1-2H3
InChIKeyOECVHMUZKRJPNX-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.91
Rot. Bonds

About 9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane

9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane (PubChem CID 91591704) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane.

Molecular Properties

Compound Name9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane
PubChem CID91591704
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane
SMILESCC.CC.CC1(C)CC2CC1C1CCCCC21
InChIInChI=1S/C13H22.2C2H6/c1-13(2)8-9-7-12(13)11-6-4-3-5-10(9)11;2*1-2/h9-12H,3-8H2,1-2H3;2*1-2H3
InChIKeyOECVHMUZKRJPNX-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 124836591
2,2-dimethylbicyclo[2.2.1]heptane;2,2-dimethylpropane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane
CID 158218416
(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823
14,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 123435444
8-ethyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386822
3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane]
CID 163947971
CID 163816630
CID 163816630
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
CID 85195042
(1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]
CID 21116154
8-propyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386823
8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde
CID 54499262
8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 55251575

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane?
The IUPAC name of 9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane (CID 91591704) is 9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane.
What is the SMILES notation for 9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane?
The canonical SMILES for 9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane is CC.CC.CC1(C)CC2CC1C1CCCCC21.
What is the InChIKey of 9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane?
The InChIKey is OECVHMUZKRJPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22.2C2H6/c1-13(2)8-9-7-12(13)11-6-4-3-5-10(9)11;2*1-2/h9-12H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of 9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane?
9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane has a molecular weight of 238.46 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane is sourced from PubChem (CID 91591704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).