1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane

C20H44 — CID 160557443

IUPAC1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane
SMILESC.C.CC(C)C1(C(C)C)CC1.CC(C)C1CC1C(C)C
InChIInChI=1S/2C9H18.2CH4/c1-7(2)9(5-6-9)8(3)4;1-6(2)8-5-9(8)7(3)4;;/h7-8H,5-6H2,1-4H3;6-9H,5H2,1-4H3;2*1H4
InChIKeyQYWGESPAVHAJGQ-UHFFFAOYSA-N
MW284.57 g/mol
LogP7.29
Rot. Bonds4

About 1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane

1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane (PubChem CID 160557443) has the molecular formula C20H44 and a molecular weight of 284.57 g/mol. Its IUPAC name is 1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane.

Molecular Properties

Compound Name1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane
PubChem CID160557443
Molecular FormulaC20H44
Molecular Weight284.57 g/mol
Exact Mass284.34
IUPAC Name1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane
SMILESC.C.CC(C)C1(C(C)C)CC1.CC(C)C1CC1C(C)C
InChIInChI=1S/2C9H18.2CH4/c1-7(2)9(5-6-9)8(3)4;1-6(2)8-5-9(8)7(3)4;;/h7-8H,5-6H2,1-4H3;6-9H,5H2,1-4H3;2*1H4
InChIKeyQYWGESPAVHAJGQ-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.57
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane?
The IUPAC name of 1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane (CID 160557443) is 1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane.
What is the SMILES notation for 1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane?
The canonical SMILES for 1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane is C.C.CC(C)C1(C(C)C)CC1.CC(C)C1CC1C(C)C.
What is the InChIKey of 1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane?
The InChIKey is QYWGESPAVHAJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18.2CH4/c1-7(2)9(5-6-9)8(3)4;1-6(2)8-5-9(8)7(3)4;;/h7-8H,5-6H2,1-4H3;6-9H,5H2,1-4H3;2*1H4.
What are the key properties of 1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane?
1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane has a molecular weight of 284.57 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane is sourced from PubChem (CID 160557443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).