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

C17H32O — CID 70929256

IUPAC1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
SMILESCC(C)(C)/C=C/CC1(COC(C)(C)C)CCCC1
InChIInChI=1S/C17H32O/c1-15(2,3)10-9-13-17(11-7-8-12-17)14-18-16(4,5)6/h9-10H,7-8,11-14H2,1-6H3/b10-9+
InChIKeyRZBDUQMQKICEIR-MDZDMXLPSA-N
MW252.44 g/mol
LogP5.35
Rot. Bonds4

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

1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane (PubChem CID 70929256) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane.

Molecular Properties

Compound Name1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
PubChem CID70929256
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
SMILESCC(C)(C)/C=C/CC1(COC(C)(C)C)CCCC1
InChIInChI=1S/C17H32O/c1-15(2,3)10-9-13-17(11-7-8-12-17)14-18-16(4,5)6/h9-10H,7-8,11-14H2,1-6H3/b10-9+
InChIKeyRZBDUQMQKICEIR-MDZDMXLPSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The IUPAC name of 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane (CID 70929256) is 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane.
What is the SMILES notation for 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The canonical SMILES for 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane is CC(C)(C)/C=C/CC1(COC(C)(C)C)CCCC1.
What is the InChIKey of 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The InChIKey is RZBDUQMQKICEIR-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H32O/c1-15(2,3)10-9-13-17(11-7-8-12-17)14-18-16(4,5)6/h9-10H,7-8,11-14H2,1-6H3/b10-9+.
What are the key properties of 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane has a molecular weight of 252.44 g/mol, XLogP of 5.35, 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]cyclopentane is sourced from PubChem (CID 70929256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).