1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane

C18H34O — CID 70929240

IUPAC1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
SMILESCC(C)(C)/C=C/CCCC1(COC(C)(C)C)CCC1
InChIInChI=1S/C18H34O/c1-16(2,3)11-8-7-9-12-18(13-10-14-18)15-19-17(4,5)6/h8,11H,7,9-10,12-15H2,1-6H3/b11-8+
InChIKeyAGWVCAQJFAVHNA-DHZHZOJOSA-N
MW266.47 g/mol
LogP5.74
Rot. Bonds6

About 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane

1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane (PubChem CID 70929240) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane.

Molecular Properties

Compound Name1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
PubChem CID70929240
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
SMILESCC(C)(C)/C=C/CCCC1(COC(C)(C)C)CCC1
InChIInChI=1S/C18H34O/c1-16(2,3)11-8-7-9-12-18(13-10-14-18)15-19-17(4,5)6/h8,11H,7,9-10,12-15H2,1-6H3/b11-8+
InChIKeyAGWVCAQJFAVHNA-DHZHZOJOSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The IUPAC name of 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane (CID 70929240) is 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane.
What is the SMILES notation for 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The canonical SMILES for 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane is CC(C)(C)/C=C/CCCC1(COC(C)(C)C)CCC1.
What is the InChIKey of 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The InChIKey is AGWVCAQJFAVHNA-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H34O/c1-16(2,3)11-8-7-9-12-18(13-10-14-18)15-19-17(4,5)6/h8,11H,7,9-10,12-15H2,1-6H3/b11-8+.
What are the key properties of 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane has a molecular weight of 266.47 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane is sourced from PubChem (CID 70929240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).