1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane

C11H20 — CID 91166091

IUPAC1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane
SMILESCCC(C)CC1CC1=C(C)C
InChIInChI=1S/C11H20/c1-5-9(4)6-10-7-11(10)8(2)3/h9-10H,5-7H2,1-4H3
InChIKeyHWWVRXCLEGTRDQ-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds3

About 1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane

1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane (PubChem CID 91166091) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane.

Molecular Properties

Compound Name1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane
PubChem CID91166091
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane
SMILESCCC(C)CC1CC1=C(C)C
InChIInChI=1S/C11H20/c1-5-9(4)6-10-7-11(10)8(2)3/h9-10H,5-7H2,1-4H3
InChIKeyHWWVRXCLEGTRDQ-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylbutyl)oxane-2,6-dione
CID 90389664
1-methyl-5-(2-methylbutyl)cyclopentene
CID 163754546
4-(2-methylbutyl)oxane-2,6-dione
CID 90389665
4,8-bis(2-methylbutyl)-1,5-diazocane-2,6-dione
CID 11335055
2-(2-methylbutyl)-1,3-dithiane
CID 19349487
2-(2-methylbutyl)oxirane
CID 534610
3-(2-methylbutyl)-2H-azirine
CID 123420731
1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617
ethane;[(2S)-2-methylbutyl]cyclopropane;molecular hydrogen
CID 145112018
azane;2-methylbutylcyclohexane
CID 143986613
1-(2-methylbutyl)-2-propylcyclobutane
CID 90731668
[4-(2-methylbutyl)cyclohexyl]methanamine
CID 130208059

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane?
The IUPAC name of 1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane (CID 91166091) is 1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane.
What is the SMILES notation for 1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane?
The canonical SMILES for 1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane is CCC(C)CC1CC1=C(C)C.
What is the InChIKey of 1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane?
The InChIKey is HWWVRXCLEGTRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-9(4)6-10-7-11(10)8(2)3/h9-10H,5-7H2,1-4H3.
What are the key properties of 1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane?
1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane has a molecular weight of 152.28 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane is sourced from PubChem (CID 91166091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).