2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane

C13H20 — CID 57216990

IUPAC2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane
SMILESCC(C)=C1C(=C(C)C)C2CCC1C2
InChIInChI=1S/C13H20/c1-8(2)12-10-5-6-11(7-10)13(12)9(3)4/h10-11H,5-7H2,1-4H3
InChIKeyVVWKVGFCPYXWQQ-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.09
Rot. Bonds

About 2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane

2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane (PubChem CID 57216990) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane
PubChem CID57216990
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane
SMILESCC(C)=C1C(=C(C)C)C2CCC1C2
InChIInChI=1S/C13H20/c1-8(2)12-10-5-6-11(7-10)13(12)9(3)4/h10-11H,5-7H2,1-4H3
InChIKeyVVWKVGFCPYXWQQ-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane?
The IUPAC name of 2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane (CID 57216990) is 2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane is CC(C)=C1C(=C(C)C)C2CCC1C2.
What is the InChIKey of 2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane?
The InChIKey is VVWKVGFCPYXWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-8(2)12-10-5-6-11(7-10)13(12)9(3)4/h10-11H,5-7H2,1-4H3.
What are the key properties of 2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane?
2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane has a molecular weight of 176.30 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane is sourced from PubChem (CID 57216990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).