2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane

C51H76 — CID 102145393

IUPAC2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane
SMILESCCC1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C1CC2CCC1C2
InChIInChI=1S/C51H76/c1-2-39-27-5-6-28(19-27)41(39)43-31-9-10-32(21-31)45(43)47-35-13-14-36(23-35)49(47)51-38-16-15-37(24-38)50(51)48-34-12-11-33(22-34)46(48)44-30-8-7-29(20-30)42(44)40-18-25-3-4-26(40)17-25/h25-51H,2-24H2,1H3
InChIKeyGRHBVRFAYYSFPQ-UHFFFAOYSA-N
MW689.17 g/mol
LogP12.81
Rot. Bonds7

About 2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane

2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane (PubChem CID 102145393) has the molecular formula C51H76 and a molecular weight of 689.17 g/mol. Its IUPAC name is 2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane
PubChem CID102145393
Molecular FormulaC51H76
Molecular Weight689.17 g/mol
Exact Mass688.59
IUPAC Name2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane
SMILESCCC1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C1CC2CCC1C2
InChIInChI=1S/C51H76/c1-2-39-27-5-6-28(19-27)41(39)43-31-9-10-32(21-31)45(43)47-35-13-14-36(23-35)49(47)51-38-16-15-37(24-38)50(51)48-34-12-11-33(22-34)46(48)44-30-8-7-29(20-30)42(44)40-18-25-3-4-26(40)17-25/h25-51H,2-24H2,1H3
InChIKeyGRHBVRFAYYSFPQ-UHFFFAOYSA-N
XLogP12.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.17
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane
CID 132601108
[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane
CID 90108600
tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane
CID 90107245
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
2-(2-bicyclo[2.2.1]heptanyl)-2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene
CID 123771301
2-ethyltricyclo[3.2.1.03,8]octane
CID 123682557
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane (CID 102145393) is 2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane is CCC1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C1CC2CCC1C2.
What is the InChIKey of 2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane?
The InChIKey is GRHBVRFAYYSFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H76/c1-2-39-27-5-6-28(19-27)41(39)43-31-9-10-32(21-31)45(43)47-35-13-14-36(23-35)49(47)51-38-16-15-37(24-38)50(51)48-34-12-11-33(22-34)46(48)44-30-8-7-29(20-30)42(44)40-18-25-3-4-26(40)17-25/h25-51H,2-24H2,1H3.
What are the key properties of 2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane?
2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane has a molecular weight of 689.17 g/mol, XLogP of 12.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 102145393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).