3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane

C18H36O3 — CID 67096024

IUPAC3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane
SMILESCCCOCCOCCCOC1(C(C)C)CCCC(C)C1
InChIInChI=1S/C18H36O3/c1-5-10-19-13-14-20-11-7-12-21-18(16(2)3)9-6-8-17(4)15-18/h16-17H,5-15H2,1-4H3
InChIKeyPKRYNANWCZGVFD-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.44
Rot. Bonds11

About 3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane

3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane (PubChem CID 67096024) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane
PubChem CID67096024
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane
SMILESCCCOCCOCCCOC1(C(C)C)CCCC(C)C1
InChIInChI=1S/C18H36O3/c1-5-10-19-13-14-20-11-7-12-21-18(16(2)3)9-6-8-17(4)15-18/h16-17H,5-15H2,1-4H3
InChIKeyPKRYNANWCZGVFD-UHFFFAOYSA-N
XLogP4.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 18710600
3-methyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79567780
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 103180376
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
3-(3-methyl-1-propan-2-ylcyclohexyl)oxybutane-1,2,4-triol
CID 91080949
1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine
CID 112754280
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
CID 116768285

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane?
The IUPAC name of 3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane (CID 67096024) is 3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane.
What is the SMILES notation for 3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane?
The canonical SMILES for 3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane is CCCOCCOCCCOC1(C(C)C)CCCC(C)C1.
What is the InChIKey of 3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane?
The InChIKey is PKRYNANWCZGVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-5-10-19-13-14-20-11-7-12-21-18(16(2)3)9-6-8-17(4)15-18/h16-17H,5-15H2,1-4H3.
What are the key properties of 3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane?
3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane has a molecular weight of 300.48 g/mol, XLogP of 4.44, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane is sourced from PubChem (CID 67096024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).