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

C17H32O — CID 70929218

IUPAC1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
SMILESCC(C)(C)/C=C/CCCC1(COC(C)(C)C)CC1
InChIInChI=1S/C17H32O/c1-15(2,3)10-8-7-9-11-17(12-13-17)14-18-16(4,5)6/h8,10H,7,9,11-14H2,1-6H3/b10-8+
InChIKeyJXTMBOJQJWVRMC-CSKARUKUSA-N
MW252.44 g/mol
LogP5.35
Rot. Bonds6

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

1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane (PubChem CID 70929218) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane.

Molecular Properties

Compound Name1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
PubChem CID70929218
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
SMILESCC(C)(C)/C=C/CCCC1(COC(C)(C)C)CC1
InChIInChI=1S/C17H32O/c1-15(2,3)10-8-7-9-11-17(12-13-17)14-18-16(4,5)6/h8,10H,7,9,11-14H2,1-6H3/b10-8+
InChIKeyJXTMBOJQJWVRMC-CSKARUKUSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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': '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]cyclopropane?
The IUPAC name of 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane (CID 70929218) is 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane.
What is the SMILES notation for 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The canonical SMILES for 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane is CC(C)(C)/C=C/CCCC1(COC(C)(C)C)CC1.
What is the InChIKey of 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The InChIKey is JXTMBOJQJWVRMC-CSKARUKUSA-N. The full InChI is InChI=1S/C17H32O/c1-15(2,3)10-8-7-9-11-17(12-13-17)14-18-16(4,5)6/h8,10H,7,9,11-14H2,1-6H3/b10-8+.
What are the key properties of 1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
1-[(E)-6,6-dimethylhept-4-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane has a molecular weight of 252.44 g/mol, XLogP of 5.35, 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]cyclopropane is sourced from PubChem (CID 70929218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).