2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane

C33H42 — CID 10455830

IUPAC2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane
SMILESC1C2CC3CC1CC(C2)C3=C1C(=C2C3CC4CC(C3)CC2C4)C1=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C33H42/c1-16-4-22-6-17(1)7-23(5-16)28(22)31-32(29-24-8-18-2-19(10-24)11-25(29)9-18)33(31)30-26-12-20-3-21(14-26)15-27(30)13-20/h16-27H,1-15H2/b31-28-,32-29-,33-30-
InChIKeyKKDQLUCIPSNYIV-XNQILKFJSA-N
MW438.70 g/mol
LogP8.26
Rot. Bonds

About 2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane

2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane (PubChem CID 10455830) has the molecular formula C33H42 and a molecular weight of 438.70 g/mol. Its IUPAC name is 2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane.

Molecular Properties

Compound Name2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane
PubChem CID10455830
Molecular FormulaC33H42
Molecular Weight438.70 g/mol
Exact Mass438.33
IUPAC Name2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane
SMILESC1C2CC3CC1CC(C2)C3=C1C(=C2C3CC4CC(C3)CC2C4)C1=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C33H42/c1-16-4-22-6-17(1)7-23(5-16)28(22)31-32(29-24-8-18-2-19(10-24)11-25(29)9-18)33(31)30-26-12-20-3-21(14-26)15-27(30)13-20/h16-27H,1-15H2/b31-28-,32-29-,33-30-
InChIKeyKKDQLUCIPSNYIV-XNQILKFJSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane?
The IUPAC name of 2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane (CID 10455830) is 2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane.
What is the SMILES notation for 2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane?
The canonical SMILES for 2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane is C1C2CC3CC1CC(C2)C3=C1C(=C2C3CC4CC(C3)CC2C4)C1=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane?
The InChIKey is KKDQLUCIPSNYIV-XNQILKFJSA-N. The full InChI is InChI=1S/C33H42/c1-16-4-22-6-17(1)7-23(5-16)28(22)31-32(29-24-8-18-2-19(10-24)11-25(29)9-18)33(31)30-26-12-20-3-21(14-26)15-27(30)13-20/h16-27H,1-15H2/b31-28-,32-29-,33-30-.
What are the key properties of 2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane?
2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane has a molecular weight of 438.70 g/mol, XLogP of 8.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(2-adamantylidene)cyclopropylidene]adamantane is sourced from PubChem (CID 10455830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).