1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane

C20H40 — CID 159196394

IUPAC1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane
SMILESC=C(C(C)(C)C)C(C)(C)C.CC(C)C1(C(C)(C)C)CC1
InChIInChI=1S/2C10H20/c1-8(2)10(6-7-10)9(3,4)5;1-8(9(2,3)4)10(5,6)7/h8H,6-7H2,1-5H3;1H2,2-7H3
InChIKeyKOSGWFKZXJPCNV-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.10
Rot. Bonds1

About 1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane

1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane (PubChem CID 159196394) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane.

Molecular Properties

Compound Name1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane
PubChem CID159196394
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane
SMILESC=C(C(C)(C)C)C(C)(C)C.CC(C)C1(C(C)(C)C)CC1
InChIInChI=1S/2C10H20/c1-8(2)10(6-7-10)9(3,4)5;1-8(9(2,3)4)10(5,6)7/h8H,6-7H2,1-5H3;1H2,2-7H3
InChIKeyKOSGWFKZXJPCNV-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.10
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-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane?
The IUPAC name of 1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane (CID 159196394) is 1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane.
What is the SMILES notation for 1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane?
The canonical SMILES for 1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane is C=C(C(C)(C)C)C(C)(C)C.CC(C)C1(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane?
The InChIKey is KOSGWFKZXJPCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20/c1-8(2)10(6-7-10)9(3,4)5;1-8(9(2,3)4)10(5,6)7/h8H,6-7H2,1-5H3;1H2,2-7H3.
What are the key properties of 1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane?
1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane has a molecular weight of 280.54 g/mol, XLogP of 7.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane is sourced from PubChem (CID 159196394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).