1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane

C11H20O — CID 53440394

IUPAC1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane
SMILESCCC(C)COC1CC1=C(C)C
InChIInChI=1S/C11H20O/c1-5-9(4)7-12-11-6-10(11)8(2)3/h9,11H,5-7H2,1-4H3
InChIKeyYKRNCVPLRMEUOE-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds4

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

1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane (PubChem CID 53440394) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane.

Molecular Properties

Compound Name1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane
PubChem CID53440394
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane
SMILESCCC(C)COC1CC1=C(C)C
InChIInChI=1S/C11H20O/c1-5-9(4)7-12-11-6-10(11)8(2)3/h9,11H,5-7H2,1-4H3
InChIKeyYKRNCVPLRMEUOE-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-Pyran, 5,6-dihydro-4,5-dimethyl-2-(2-methyl-1-propen-1-yl)-
CID 103463
2-cyclopropyl-4,5-dimethyl-3,6-dihydro-2H-pyran
CID 154712675
Ether, tert-butyl isopropylidenecyclopropyl
CID 544882
1-Ethoxy-2-propan-2-ylidenecyclopropane
CID 13182550
3,4-Di(propan-2-yl)-2,5-dihydrofuran
CID 57632404
4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran
CID 89041206
2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran
CID 118643065
3-Ethyl-4-propan-2-yl-2,5-dihydrofuran
CID 129153385
2,5-Dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran
CID 135194506
(2R,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran
CID 135194508
(2R,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran
CID 135194509
(2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran
CID 135194511

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane?
The IUPAC name of 1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane (CID 53440394) is 1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane.
What is the SMILES notation for 1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane?
The canonical SMILES for 1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane is CCC(C)COC1CC1=C(C)C.
What is the InChIKey of 1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane?
The InChIKey is YKRNCVPLRMEUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-9(4)7-12-11-6-10(11)8(2)3/h9,11H,5-7H2,1-4H3.
What are the key properties of 1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane?
1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutoxy)-2-propan-2-ylidenecyclopropane is sourced from PubChem (CID 53440394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).