1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane

C14H28 — CID 159489336

IUPAC1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane
SMILESCC1C(CCC(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C14H28/c1-10-11(8-9-13(2,3)4)12(10)14(5,6)7/h10-12H,8-9H2,1-7H3
InChIKeyYWKYTPVZKCMQSB-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds2

About 1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane

1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane (PubChem CID 159489336) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane.

Molecular Properties

Compound Name1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane
PubChem CID159489336
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane
SMILESCC1C(CCC(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C14H28/c1-10-11(8-9-13(2,3)4)12(10)14(5,6)7/h10-12H,8-9H2,1-7H3
InChIKeyYWKYTPVZKCMQSB-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane?
The IUPAC name of 1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane (CID 159489336) is 1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane.
What is the SMILES notation for 1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane?
The canonical SMILES for 1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane is CC1C(CCC(C)(C)C)C1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane?
The InChIKey is YWKYTPVZKCMQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-10-11(8-9-13(2,3)4)12(10)14(5,6)7/h10-12H,8-9H2,1-7H3.
What are the key properties of 1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane?
1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(3,3-dimethylbutyl)-3-methylcyclopropane is sourced from PubChem (CID 159489336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).