1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane

C15H28O — CID 70929210

IUPAC1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
SMILESCC(C)(C)/C=C/CC1(COC(C)(C)C)CC1
InChIInChI=1S/C15H28O/c1-13(2,3)8-7-9-15(10-11-15)12-16-14(4,5)6/h7-8H,9-12H2,1-6H3/b8-7+
InChIKeyRYKPGWPWJQTBPZ-BQYQJAHWSA-N
MW224.39 g/mol
LogP4.57
Rot. Bonds4

About 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane

1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane (PubChem CID 70929210) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane.

Molecular Properties

Compound Name1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
PubChem CID70929210
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
SMILESCC(C)(C)/C=C/CC1(COC(C)(C)C)CC1
InChIInChI=1S/C15H28O/c1-13(2,3)8-7-9-15(10-11-15)12-16-14(4,5)6/h7-8H,9-12H2,1-6H3/b8-7+
InChIKeyRYKPGWPWJQTBPZ-BQYQJAHWSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane
CID 58275555
1-(4,4-Difluoro-5-methylhex-2-enyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 76738454
2-Ethoxy-1,1-bis(prop-2-enyl)cyclopropane
CID 332841
(E)-2,6,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 57873831
(E)-2,7,7-trimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene
CID 57873891
1-(1-Methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane
CID 58555243
1-(3-Methylbut-2-enyl)-1-(1-prop-2-enoxyethyl)cyclopropane
CID 58555256
(Z)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 58798510
(Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene
CID 59344635
(Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene
CID 59990327
1-(2-Methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane
CID 67125627
1-[(1R)-1-methoxyethyl]-1-(3-methylbut-2-enyl)cyclopropane
CID 67125633

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The IUPAC name of 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane (CID 70929210) is 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane.
What is the SMILES notation for 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The canonical SMILES for 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane is CC(C)(C)/C=C/CC1(COC(C)(C)C)CC1.
What is the InChIKey of 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The InChIKey is RYKPGWPWJQTBPZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H28O/c1-13(2,3)8-7-9-15(10-11-15)12-16-14(4,5)6/h7-8H,9-12H2,1-6H3/b8-7+.
What are the key properties of 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane has a molecular weight of 224.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane is sourced from PubChem (CID 70929210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).