1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane

C13H24 — CID 91138566

IUPAC1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane
SMILESC=C(C)C1C(C)C(C)(C)C1C(C)C
InChIInChI=1S/C13H24/c1-8(2)11-10(5)13(6,7)12(11)9(3)4/h9-12H,1H2,2-7H3
InChIKeyLJHOADVGTGJYLO-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.13
Rot. Bonds2

About 1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane

1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane (PubChem CID 91138566) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane.

Molecular Properties

Compound Name1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane
PubChem CID91138566
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane
SMILESC=C(C)C1C(C)C(C)(C)C1C(C)C
InChIInChI=1S/C13H24/c1-8(2)11-10(5)13(6,7)12(11)9(3)4/h9-12H,1H2,2-7H3
InChIKeyLJHOADVGTGJYLO-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.13
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 1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane?
The IUPAC name of 1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane (CID 91138566) is 1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane.
What is the SMILES notation for 1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane?
The canonical SMILES for 1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane is C=C(C)C1C(C)C(C)(C)C1C(C)C.
What is the InChIKey of 1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane?
The InChIKey is LJHOADVGTGJYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-8(2)11-10(5)13(6,7)12(11)9(3)4/h9-12H,1H2,2-7H3.
What are the key properties of 1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane?
1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane has a molecular weight of 180.33 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-4-propan-2-yl-3-prop-1-en-2-ylcyclobutane is sourced from PubChem (CID 91138566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).