(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane

C16H26 — CID 141137081

IUPAC(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane
SMILESCC1=C(C)C(C2CCCCCC2)C(C)=C1C
InChIInChI=1S/C16H26/c1-11-12(2)14(4)16(13(11)3)15-9-7-5-6-8-10-15/h15-16H,5-10H2,1-4H3
InChIKeyDJPHMQKBTYPPOW-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.26
Rot. Bonds1

About (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane

(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane (PubChem CID 141137081) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane.

Molecular Properties

Compound Name(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane
PubChem CID141137081
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane
SMILESCC1=C(C)C(C2CCCCCC2)C(C)=C1C
InChIInChI=1S/C16H26/c1-11-12(2)14(4)16(13(11)3)15-9-7-5-6-8-10-15/h15-16H,5-10H2,1-4H3
InChIKeyDJPHMQKBTYPPOW-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane
CID 11985125
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
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
azane;cyclohexylcyclohexane
CID 66583255
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene
CID 13310304
bicyclo[11.1.0]tetradecane
CID 90981498
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane?
The IUPAC name of (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane (CID 141137081) is (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane.
What is the SMILES notation for (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane?
The canonical SMILES for (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane is CC1=C(C)C(C2CCCCCC2)C(C)=C1C.
What is the InChIKey of (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane?
The InChIKey is DJPHMQKBTYPPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-11-12(2)14(4)16(13(11)3)15-9-7-5-6-8-10-15/h15-16H,5-10H2,1-4H3.
What are the key properties of (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane?
(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane has a molecular weight of 218.38 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)cycloheptane is sourced from PubChem (CID 141137081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).