1-butyl-1-methyl-2-propan-2-ylcyclopropane

C11H22 — CID 91325328

IUPAC1-butyl-1-methyl-2-propan-2-ylcyclopropane
SMILESCCCCC1(C)CC1C(C)C
InChIInChI=1S/C11H22/c1-5-6-7-11(4)8-10(11)9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyRCXCOKQPPWKCEC-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds4

About 1-butyl-1-methyl-2-propan-2-ylcyclopropane

1-butyl-1-methyl-2-propan-2-ylcyclopropane (PubChem CID 91325328) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-butyl-1-methyl-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-butyl-1-methyl-2-propan-2-ylcyclopropane
PubChem CID91325328
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-butyl-1-methyl-2-propan-2-ylcyclopropane
SMILESCCCCC1(C)CC1C(C)C
InChIInChI=1S/C11H22/c1-5-6-7-11(4)8-10(11)9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyRCXCOKQPPWKCEC-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-[(1R,2R)-2-butyl-2-methylcyclopropyl]-2-methylpropan-1-ol
CID 102319002
2-butan-2-yl-1-methyl-1-pentylcyclopropane
CID 123764144
1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155
CID 123789898
CID 123789898
1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane
CID 123964295
1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane
CID 123620432
1-butyl-1-methyl-3-propan-2-ylcyclobutane
CID 162724820
1-methyl-2-propan-2-yl-1-propylcyclobutane
CID 123382647
2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 91236207
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane
CID 123352709
1-but-1-ynyl-1-methyl-2-propan-2-ylcyclopropane
CID 123938589

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-methyl-2-propan-2-ylcyclopropane?
The IUPAC name of 1-butyl-1-methyl-2-propan-2-ylcyclopropane (CID 91325328) is 1-butyl-1-methyl-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1-butyl-1-methyl-2-propan-2-ylcyclopropane?
The canonical SMILES for 1-butyl-1-methyl-2-propan-2-ylcyclopropane is CCCCC1(C)CC1C(C)C.
What is the InChIKey of 1-butyl-1-methyl-2-propan-2-ylcyclopropane?
The InChIKey is RCXCOKQPPWKCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-5-6-7-11(4)8-10(11)9(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-butyl-1-methyl-2-propan-2-ylcyclopropane?
1-butyl-1-methyl-2-propan-2-ylcyclopropane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-methyl-2-propan-2-ylcyclopropane is sourced from PubChem (CID 91325328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).