ethane;tricyclo[5.3.0.02,6]decane

C14H28 — CID 158606562

IUPACethane;tricyclo[5.3.0.02,6]decane
SMILESC1CC2C(C1)C1CCCC21.CC.CC
InChIInChI=1S/C10H16.2C2H6/c1-3-7-8(4-1)10-6-2-5-9(7)10;2*1-2/h7-10H,1-6H2;2*1-2H3
InChIKeyHWHMUHWYXCQASY-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds

About ethane;tricyclo[5.3.0.02,6]decane

ethane;tricyclo[5.3.0.02,6]decane (PubChem CID 158606562) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is ethane;tricyclo[5.3.0.02,6]decane.

Molecular Properties

Compound Nameethane;tricyclo[5.3.0.02,6]decane
PubChem CID158606562
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Nameethane;tricyclo[5.3.0.02,6]decane
SMILESC1CC2C(C1)C1CCCC21.CC.CC
InChIInChI=1S/C10H16.2C2H6/c1-3-7-8(4-1)10-6-2-5-9(7)10;2*1-2/h7-10H,1-6H2;2*1-2H3
InChIKeyHWHMUHWYXCQASY-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
tricyclo[5.5.0.02,6]dodecane
CID 578151
cis-(1R,2S)-1-methyl-2-[(1R,2R)-2-[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane;cis-(1R,2S)-1-methyl-2-[(1S,2S)-2-[(1S,2R)-2-[(1R,2R)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane
CID 157247128
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 91597819
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
7,8-dimethylbicyclo[4.2.0]octane;ethane
CID 158084419
tricyclo[5.4.0.08,11]undecane
CID 176586412
(1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane
CID 102370300
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
tricyclo[5.2.1.02,6]decan-10-ol
CID 578081
tricyclo[5.2.1.02,6]decane-10-thiol
CID 89269654

Frequently Asked Questions

What is the IUPAC name of ethane;tricyclo[5.3.0.02,6]decane?
The IUPAC name of ethane;tricyclo[5.3.0.02,6]decane (CID 158606562) is ethane;tricyclo[5.3.0.02,6]decane.
What is the SMILES notation for ethane;tricyclo[5.3.0.02,6]decane?
The canonical SMILES for ethane;tricyclo[5.3.0.02,6]decane is C1CC2C(C1)C1CCCC21.CC.CC.
What is the InChIKey of ethane;tricyclo[5.3.0.02,6]decane?
The InChIKey is HWHMUHWYXCQASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.2C2H6/c1-3-7-8(4-1)10-6-2-5-9(7)10;2*1-2/h7-10H,1-6H2;2*1-2H3.
What are the key properties of ethane;tricyclo[5.3.0.02,6]decane?
ethane;tricyclo[5.3.0.02,6]decane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tricyclo[5.3.0.02,6]decane is sourced from PubChem (CID 158606562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).