1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane

C48H68 — CID 153452162

IUPAC1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane
SMILESCC(C)C1C(C2C(C3C(C4CC4)C3C3CC3)C2C2C(C3CC3)C2C2CC2)C1C1C(C2C(C3CC3)C2C2CC2)C1C1C(C2CC2)C1C1CC1
InChIInChI=1S/C48H68/c1-19(2)28-37(43-45(39-29(20-3-4-20)30(39)21-5-6-21)46(43)40-31(22-7-8-22)32(40)23-9-10-23)38(28)44-47(41-33(24-11-12-24)34(41)25-13-14-25)48(44)42-35(26-15-16-26)36(42)27-17-18-27/h19-48H,3-18H2,1-2H3
InChIKeyIGRXJIQVOAWWHL-UHFFFAOYSA-N
MW645.07 g/mol
LogP10.96
Rot. Bonds15

About 1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane

1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane (PubChem CID 153452162) has the molecular formula C48H68 and a molecular weight of 645.07 g/mol. Its IUPAC name is 1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane
PubChem CID153452162
Molecular FormulaC48H68
Molecular Weight645.07 g/mol
Exact Mass644.53
IUPAC Name1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane
SMILESCC(C)C1C(C2C(C3C(C4CC4)C3C3CC3)C2C2C(C3CC3)C2C2CC2)C1C1C(C2C(C3CC3)C2C2CC2)C1C1C(C2CC2)C1C1CC1
InChIInChI=1S/C48H68/c1-19(2)28-37(43-45(39-29(20-3-4-20)30(39)21-5-6-21)46(43)40-31(22-7-8-22)32(40)23-9-10-23)38(28)44-47(41-33(24-11-12-24)34(41)25-13-14-25)48(44)42-35(26-15-16-26)36(42)27-17-18-27/h19-48H,3-18H2,1-2H3
InChIKeyIGRXJIQVOAWWHL-UHFFFAOYSA-N
XLogP10.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.07
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane?
The IUPAC name of 1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane (CID 153452162) is 1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane.
What is the SMILES notation for 1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane?
The canonical SMILES for 1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane is CC(C)C1C(C2C(C3C(C4CC4)C3C3CC3)C2C2C(C3CC3)C2C2CC2)C1C1C(C2C(C3CC3)C2C2CC2)C1C1C(C2CC2)C1C1CC1.
What is the InChIKey of 1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane?
The InChIKey is IGRXJIQVOAWWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H68/c1-19(2)28-37(43-45(39-29(20-3-4-20)30(39)21-5-6-21)46(43)40-31(22-7-8-22)32(40)23-9-10-23)38(28)44-47(41-33(24-11-12-24)34(41)25-13-14-25)48(44)42-35(26-15-16-26)36(42)27-17-18-27/h19-48H,3-18H2,1-2H3.
What are the key properties of 1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane?
1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane has a molecular weight of 645.07 g/mol, XLogP of 10.96, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane is sourced from PubChem (CID 153452162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).