1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane

C16H28 — CID 153218597

IUPAC1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane
SMILESC=C(C)C1(C)C(C)(C)C(C)(C)C1(C)C(=C)C
InChIInChI=1S/C16H28/c1-11(2)15(9)13(5,6)14(7,8)16(15,10)12(3)4/h1,3H2,2,4-10H3
InChIKeyWNEUTIABGZDNHE-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.22
Rot. Bonds2

About 1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane

1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane (PubChem CID 153218597) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane.

Molecular Properties

Compound Name1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane
PubChem CID153218597
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane
SMILESC=C(C)C1(C)C(C)(C)C(C)(C)C1(C)C(=C)C
InChIInChI=1S/C16H28/c1-11(2)15(9)13(5,6)14(7,8)16(15,10)12(3)4/h1,3H2,2,4-10H3
InChIKeyWNEUTIABGZDNHE-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.22
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 1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane?
The IUPAC name of 1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane (CID 153218597) is 1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane.
What is the SMILES notation for 1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane?
The canonical SMILES for 1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane is C=C(C)C1(C)C(C)(C)C(C)(C)C1(C)C(=C)C.
What is the InChIKey of 1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane?
The InChIKey is WNEUTIABGZDNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-11(2)15(9)13(5,6)14(7,8)16(15,10)12(3)4/h1,3H2,2,4-10H3.
What are the key properties of 1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane?
1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane has a molecular weight of 220.40 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane is sourced from PubChem (CID 153218597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).