[2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane

C19H38O — CID 123190626

IUPAC[2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane
SMILESCCC(C)(C)OC(C1CC1)C(C)(CC(C)C)C(C)(C)C
InChIInChI=1S/C19H38O/c1-10-18(7,8)20-16(15-11-12-15)19(9,13-14(2)3)17(4,5)6/h14-16H,10-13H2,1-9H3
InChIKeyLNKFICZXFZPFCL-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.07
Rot. Bonds7

About [2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane

[2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane (PubChem CID 123190626) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is [2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane.

Molecular Properties

Compound Name[2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane
PubChem CID123190626
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name[2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane
SMILESCCC(C)(C)OC(C1CC1)C(C)(CC(C)C)C(C)(C)C
InChIInChI=1S/C19H38O/c1-10-18(7,8)20-16(15-11-12-15)19(9,13-14(2)3)17(4,5)6/h14-16H,10-13H2,1-9H3
InChIKeyLNKFICZXFZPFCL-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane?
The IUPAC name of [2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane (CID 123190626) is [2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane.
What is the SMILES notation for [2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane?
The canonical SMILES for [2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane is CCC(C)(C)OC(C1CC1)C(C)(CC(C)C)C(C)(C)C.
What is the InChIKey of [2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane?
The InChIKey is LNKFICZXFZPFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-10-18(7,8)20-16(15-11-12-15)19(9,13-14(2)3)17(4,5)6/h14-16H,10-13H2,1-9H3.
What are the key properties of [2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane?
[2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane has a molecular weight of 282.51 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-2,4-dimethyl-1-(2-methylbutan-2-yloxy)pentyl]cyclopropane is sourced from PubChem (CID 123190626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).