1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene

C17H26O2 — CID 150673745

IUPAC1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene
SMILESCCOCOc1ccc(C2CCC(C)(C)CC2)cc1
InChIInChI=1S/C17H26O2/c1-4-18-13-19-16-7-5-14(6-8-16)15-9-11-17(2,3)12-10-15/h5-8,15H,4,9-13H2,1-3H3
InChIKeyJGKOZZRJCHUGDY-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.74
Rot. Bonds5

About 1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene

1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene (PubChem CID 150673745) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene
PubChem CID150673745
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene
SMILESCCOCOc1ccc(C2CCC(C)(C)CC2)cc1
InChIInChI=1S/C17H26O2/c1-4-18-13-19-16-7-5-14(6-8-16)15-9-11-17(2,3)12-10-15/h5-8,15H,4,9-13H2,1-3H3
InChIKeyJGKOZZRJCHUGDY-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
1-cyclohexyl-4-(methoxymethoxy)benzene
CID 143461597
4-(4-ethoxyphenyl)piperidine
CID 21495191
8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane
CID 155468854
3,11-bis(4-nonoxyphenyl)dispiro[5.1.58.16]tetradecane
CID 159804370
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene
CID 90276548
1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene
CID 18597168
1-(4-fluoro-4-octylcyclohexyl)-4-octoxybenzene
CID 67859754
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene
CID 22857790
N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline
CID 138456770

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene (CID 150673745) is 1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene is CCOCOc1ccc(C2CCC(C)(C)CC2)cc1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene?
The InChIKey is JGKOZZRJCHUGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-18-13-19-16-7-5-14(6-8-16)15-9-11-17(2,3)12-10-15/h5-8,15H,4,9-13H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene?
1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene has a molecular weight of 262.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene is sourced from PubChem (CID 150673745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).