1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane

C16H32O — CID 70929941

IUPAC1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
SMILESCC(C)(C)CCCCC1(COC(C)(C)C)CC1
InChIInChI=1S/C16H32O/c1-14(2,3)9-7-8-10-16(11-12-16)13-17-15(4,5)6/h7-13H2,1-6H3
InChIKeyBHPVVNUIRRJWLV-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.19
Rot. Bonds6

About 1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane

1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane (PubChem CID 70929941) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane.

Molecular Properties

Compound Name1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
PubChem CID70929941
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
SMILESCC(C)(C)CCCCC1(COC(C)(C)C)CC1
InChIInChI=1S/C16H32O/c1-14(2,3)9-7-8-10-16(11-12-16)13-17-15(4,5)6/h7-13H2,1-6H3
InChIKeyBHPVVNUIRRJWLV-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The IUPAC name of 1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane (CID 70929941) is 1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane.
What is the SMILES notation for 1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The canonical SMILES for 1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane is CC(C)(C)CCCCC1(COC(C)(C)C)CC1.
What is the InChIKey of 1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The InChIKey is BHPVVNUIRRJWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-14(2,3)9-7-8-10-16(11-12-16)13-17-15(4,5)6/h7-13H2,1-6H3.
What are the key properties of 1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane has a molecular weight of 240.43 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane is sourced from PubChem (CID 70929941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).