2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane

C13H20 — CID 123561552

IUPAC2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane
SMILESC=C(C)C12C3(C)CC31C2(C)C(C)C
InChIInChI=1S/C13H20/c1-8(2)11(6)12-7-10(12,5)13(11,12)9(3)4/h8H,3,7H2,1-2,4-6H3
InChIKeyCCBAEAVAYLLPNF-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.63
Rot. Bonds2

About 2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane

2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane (PubChem CID 123561552) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane.

Molecular Properties

Compound Name2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane
PubChem CID123561552
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane
SMILESC=C(C)C12C3(C)CC31C2(C)C(C)C
InChIInChI=1S/C13H20/c1-8(2)11(6)12-7-10(12,5)13(11,12)9(3)4/h8H,3,7H2,1-2,4-6H3
InChIKeyCCBAEAVAYLLPNF-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane?
The IUPAC name of 2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane (CID 123561552) is 2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane.
What is the SMILES notation for 2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane?
The canonical SMILES for 2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane is C=C(C)C12C3(C)CC31C2(C)C(C)C.
What is the InChIKey of 2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane?
The InChIKey is CCBAEAVAYLLPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-8(2)11(6)12-7-10(12,5)13(11,12)9(3)4/h8H,3,7H2,1-2,4-6H3.
What are the key properties of 2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane?
2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane has a molecular weight of 176.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-propan-2-yl-3-prop-1-en-2-yltricyclo[2.1.0.01,3]pentane is sourced from PubChem (CID 123561552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).