tricyclo[11.3.0.05,9]hexadecane

C16H28 — CID 154595560

IUPACtricyclo[11.3.0.05,9]hexadecane
SMILESC1CC2CCCC3CCCC3CCCC2C1
InChIInChI=1S/C16H28/c1-5-13-9-3-11-15-7-2-8-16(15)12-4-10-14(13)6-1/h13-16H,1-12H2
InChIKeyRPTFRTBCZZOSOK-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.17
Rot. Bonds

About tricyclo[11.3.0.05,9]hexadecane

tricyclo[11.3.0.05,9]hexadecane (PubChem CID 154595560) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is tricyclo[11.3.0.05,9]hexadecane.

Molecular Properties

Compound Nametricyclo[11.3.0.05,9]hexadecane
PubChem CID154595560
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Nametricyclo[11.3.0.05,9]hexadecane
SMILESC1CC2CCCC3CCCC3CCCC2C1
InChIInChI=1S/C16H28/c1-5-13-9-3-11-15-7-2-8-16(15)12-4-10-14(13)6-1/h13-16H,1-12H2
InChIKeyRPTFRTBCZZOSOK-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,3a,4,5,6,6a-octahydropentalene;phosphane
CID 174450452
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
tricyclo[11.9.0.05,8]docosane
CID 123241919
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclopentylcyclopentane;phosphane
CID 174792657

Frequently Asked Questions

What is the IUPAC name of tricyclo[11.3.0.05,9]hexadecane?
The IUPAC name of tricyclo[11.3.0.05,9]hexadecane (CID 154595560) is tricyclo[11.3.0.05,9]hexadecane.
What is the SMILES notation for tricyclo[11.3.0.05,9]hexadecane?
The canonical SMILES for tricyclo[11.3.0.05,9]hexadecane is C1CC2CCCC3CCCC3CCCC2C1.
What is the InChIKey of tricyclo[11.3.0.05,9]hexadecane?
The InChIKey is RPTFRTBCZZOSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-5-13-9-3-11-15-7-2-8-16(15)12-4-10-14(13)6-1/h13-16H,1-12H2.
What are the key properties of tricyclo[11.3.0.05,9]hexadecane?
tricyclo[11.3.0.05,9]hexadecane has a molecular weight of 220.40 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[11.3.0.05,9]hexadecane is sourced from PubChem (CID 154595560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).