1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane

C19H38O — CID 70930014

IUPAC1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
SMILESCC(C)(C)CCCCCC1(COC(C)(C)C)CCCC1
InChIInChI=1S/C19H38O/c1-17(2,3)12-8-7-9-13-19(14-10-11-15-19)16-20-18(4,5)6/h7-16H2,1-6H3
InChIKeySKEMUWRDPHQUBB-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.36
Rot. Bonds7

About 1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane

1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane (PubChem CID 70930014) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane.

Molecular Properties

Compound Name1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
PubChem CID70930014
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
SMILESCC(C)(C)CCCCCC1(COC(C)(C)C)CCCC1
InChIInChI=1S/C19H38O/c1-17(2,3)12-8-7-9-13-19(14-10-11-15-19)16-20-18(4,5)6/h7-16H2,1-6H3
InChIKeySKEMUWRDPHQUBB-UHFFFAOYSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.36
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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Related Compounds

1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 70929941
1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
CID 70930204
N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine
CID 155793886
1-(6,6-dimethylheptyl)-1-methylcyclopropane
CID 123317672
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
1-hexyl-1-(methoxymethyl)cyclopentane
CID 143807105
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine
CID 171611844
1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane
CID 170104308
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
CID 155794097

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The IUPAC name of 1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane (CID 70930014) is 1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane.
What is the SMILES notation for 1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The canonical SMILES for 1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane is CC(C)(C)CCCCCC1(COC(C)(C)C)CCCC1.
What is the InChIKey of 1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The InChIKey is SKEMUWRDPHQUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-17(2,3)12-8-7-9-13-19(14-10-11-15-19)16-20-18(4,5)6/h7-16H2,1-6H3.
What are the key properties of 1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane has a molecular weight of 282.51 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane is sourced from PubChem (CID 70930014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).