1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane

C17H22 — CID 102217747

IUPAC1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane
SMILESC1=CC(C2(C3C=CC=C3)CCCCCC2)C=C1
InChIInChI=1S/C17H22/c1-2-8-14-17(13-7-1,15-9-3-4-10-15)16-11-5-6-12-16/h3-6,9-12,15-16H,1-2,7-8,13-14H2
InChIKeyWWARJTXDKUNONJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.81
Rot. Bonds2

About 1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane

1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane (PubChem CID 102217747) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane.

Molecular Properties

Compound Name1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane
PubChem CID102217747
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane
SMILESC1=CC(C2(C3C=CC=C3)CCCCCC2)C=C1
InChIInChI=1S/C17H22/c1-2-8-14-17(13-7-1,15-9-3-4-10-15)16-11-5-6-12-16/h3-6,9-12,15-16H,1-2,7-8,13-14H2
InChIKeyWWARJTXDKUNONJ-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

dispiro[5.1.58.16]tetradecane-7,14-diol
CID 21492522
1,1-di(cyclooctyl)cyclooctane
CID 23107007
(1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene]
CID 10511779
1,2-dimethylspiro[2.4]heptane
CID 58548907
N-cyclopenta-2,4-dien-1-yl-1-ethylcyclooctan-1-amine
CID 159492701
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
1,1-bis(fluoromethyl)cyclohexane
CID 58341484
spiro[4.14]nonadeca-1,3-diene
CID 59742110
cobalt;cyclopentane;5-methylcyclopenta-1,3-diene
CID 172773406
spiro[4.10]pentadeca-1,3-diene
CID 59741946
spiro[4.7]dodeca-1,3-diene
CID 59742087
(1'S,8'R)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]
CID 95564238

Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane?
The IUPAC name of 1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane (CID 102217747) is 1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane.
What is the SMILES notation for 1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane?
The canonical SMILES for 1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane is C1=CC(C2(C3C=CC=C3)CCCCCC2)C=C1.
What is the InChIKey of 1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane?
The InChIKey is WWARJTXDKUNONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-2-8-14-17(13-7-1,15-9-3-4-10-15)16-11-5-6-12-16/h3-6,9-12,15-16H,1-2,7-8,13-14H2.
What are the key properties of 1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane?
1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane has a molecular weight of 226.36 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane is sourced from PubChem (CID 102217747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).