1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane

C16H30O — CID 70929254

IUPAC1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
SMILESCC(C)(C)/C=C/C1(COC(C)(C)C)CCCC1
InChIInChI=1S/C16H30O/c1-14(2,3)11-12-16(9-7-8-10-16)13-17-15(4,5)6/h11-12H,7-10,13H2,1-6H3/b12-11+
InChIKeyMQOMVGLUEORIBB-VAWYXSNFSA-N
MW238.41 g/mol
LogP4.96
Rot. Bonds3

About 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane

1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane (PubChem CID 70929254) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
PubChem CID70929254
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
SMILESCC(C)(C)/C=C/C1(COC(C)(C)C)CCCC1
InChIInChI=1S/C16H30O/c1-14(2,3)11-12-16(9-7-8-10-16)13-17-15(4,5)6/h11-12H,7-10,13H2,1-6H3/b12-11+
InChIKeyMQOMVGLUEORIBB-VAWYXSNFSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.96
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)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane (CID 70929254) is 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane.
What is the SMILES notation for 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The canonical SMILES for 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane is CC(C)(C)/C=C/C1(COC(C)(C)C)CCCC1.
What is the InChIKey of 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The InChIKey is MQOMVGLUEORIBB-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H30O/c1-14(2,3)11-12-16(9-7-8-10-16)13-17-15(4,5)6/h11-12H,7-10,13H2,1-6H3/b12-11+.
What are the key properties of 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane has a molecular weight of 238.41 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane is sourced from PubChem (CID 70929254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).