1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane

C48H72 — CID 134834632

IUPAC1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane
SMILESC1CC1C(C1CC1)C(C(C1CC1)C1CC1)C1C(C(C(C2CC2)C2CC2)C(C2CC2)C2CC2)C1C(C(C1CC1)C1CC1)C(C1CC1)C1CC1
InChIInChI=1S/C48H72/c1-2-25(1)37(26-3-4-26)43(38(27-5-6-27)28-7-8-28)46-47(44(39(29-9-10-29)30-11-12-30)40(31-13-14-31)32-15-16-32)48(46)45(41(33-17-18-33)34-19-20-34)42(35-21-22-35)36-23-24-36/h25-48H,1-24H2
InChIKeyPUTXXDSYTIBDSN-UHFFFAOYSA-N
MW649.10 g/mol
LogP12.31
Rot. Bonds21

About 1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane

1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane (PubChem CID 134834632) has the molecular formula C48H72 and a molecular weight of 649.10 g/mol. Its IUPAC name is 1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane.

Molecular Properties

Compound Name1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane
PubChem CID134834632
Molecular FormulaC48H72
Molecular Weight649.10 g/mol
Exact Mass648.56
IUPAC Name1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane
SMILESC1CC1C(C1CC1)C(C(C1CC1)C1CC1)C1C(C(C(C2CC2)C2CC2)C(C2CC2)C2CC2)C1C(C(C1CC1)C1CC1)C(C1CC1)C1CC1
InChIInChI=1S/C48H72/c1-2-25(1)37(26-3-4-26)43(38(27-5-6-27)28-7-8-28)46-47(44(39(29-9-10-29)30-11-12-30)40(31-13-14-31)32-15-16-32)48(46)45(41(33-17-18-33)34-19-20-34)42(35-21-22-35)36-23-24-36/h25-48H,1-24H2
InChIKeyPUTXXDSYTIBDSN-UHFFFAOYSA-N
XLogP12.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.10
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

propan-2-ylcyclopropane;hydroiodide
CID 162314014
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
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CID 105000971
2-cyclopropylpropanethial
CID 54462811
(2S)-2-cyclopropylpropanal
CID 59475987
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
1-(1-cyclopropylethoxy)ethylcyclopropane
CID 23618436
2-deuteriopropan-2-ylcyclopropane
CID 164822454
1-fluoroethylcyclopropane
CID 22262429
1-cyclopropylethanamine
CID 519239
1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine
CID 112743726
2-cyclopropylpropylcyclobutane
CID 54087952

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane?
The IUPAC name of 1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane (CID 134834632) is 1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane.
What is the SMILES notation for 1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane?
The canonical SMILES for 1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane is C1CC1C(C1CC1)C(C(C1CC1)C1CC1)C1C(C(C(C2CC2)C2CC2)C(C2CC2)C2CC2)C1C(C(C1CC1)C1CC1)C(C1CC1)C1CC1.
What is the InChIKey of 1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane?
The InChIKey is PUTXXDSYTIBDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H72/c1-2-25(1)37(26-3-4-26)43(38(27-5-6-27)28-7-8-28)46-47(44(39(29-9-10-29)30-11-12-30)40(31-13-14-31)32-15-16-32)48(46)45(41(33-17-18-33)34-19-20-34)42(35-21-22-35)36-23-24-36/h25-48H,1-24H2.
What are the key properties of 1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane?
1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane has a molecular weight of 649.10 g/mol, XLogP of 12.31, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(1,1,3,3-tetracyclopropylpropan-2-yl)cyclopropane is sourced from PubChem (CID 134834632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).