1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane

C17H32O — CID 70929234

IUPAC1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
SMILESCC(C)(C)/C=C/CCC1(COC(C)(C)C)CCC1
InChIInChI=1S/C17H32O/c1-15(2,3)10-7-8-11-17(12-9-13-17)14-18-16(4,5)6/h7,10H,8-9,11-14H2,1-6H3/b10-7+
InChIKeyCSLUUVISKFTEBP-JXMROGBWSA-N
MW252.44 g/mol
LogP5.35
Rot. Bonds5

About 1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane

1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane (PubChem CID 70929234) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane.

Molecular Properties

Compound Name1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
PubChem CID70929234
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
SMILESCC(C)(C)/C=C/CCC1(COC(C)(C)C)CCC1
InChIInChI=1S/C17H32O/c1-15(2,3)10-7-8-11-17(12-9-13-17)14-18-16(4,5)6/h7,10H,8-9,11-14H2,1-6H3/b10-7+
InChIKeyCSLUUVISKFTEBP-JXMROGBWSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The IUPAC name of 1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane (CID 70929234) is 1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane.
What is the SMILES notation for 1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The canonical SMILES for 1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane is CC(C)(C)/C=C/CCC1(COC(C)(C)C)CCC1.
What is the InChIKey of 1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The InChIKey is CSLUUVISKFTEBP-JXMROGBWSA-N. The full InChI is InChI=1S/C17H32O/c1-15(2,3)10-7-8-11-17(12-9-13-17)14-18-16(4,5)6/h7,10H,8-9,11-14H2,1-6H3/b10-7+.
What are the key properties of 1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane has a molecular weight of 252.44 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane is sourced from PubChem (CID 70929234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).