1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane

C49H82O6 — CID 158179170

IUPAC1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane
SMILESC.C=COC1CCCCC1.C=COCCOc1ccc(C(C)C)cc1.CC(C)CC(CC(OCCOc1ccc(C(C)C)cc1)C(C)C)OC1CCCCC1
InChIInChI=1S/C27H46O3.C13H18O2.C8H14O.CH4/c1-20(2)18-26(30-25-10-8-7-9-11-25)19-27(22(5)6)29-17-16-28-24-14-12-23(13-15-24)21(3)4;1-4-14-9-10-15-13-7-5-12(6-8-13)11(2)3;1-2-9-8-6-4-3-5-7-8;/h12-15,20-22,25-27H,7-11,16-19H2,1-6H3;4-8,11H,1,9-10H2,2-3H3;2,8H,1,3-7H2;1H4
InChIKeyFYJDIMBQBRSFBB-UHFFFAOYSA-N
MW767.19 g/mol
LogP13.85
Rot. Bonds21

About 1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane

1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane (PubChem CID 158179170) has the molecular formula C49H82O6 and a molecular weight of 767.19 g/mol. Its IUPAC name is 1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane.

Molecular Properties

Compound Name1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane
PubChem CID158179170
Molecular FormulaC49H82O6
Molecular Weight767.19 g/mol
Exact Mass766.61
IUPAC Name1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane
SMILESC.C=COC1CCCCC1.C=COCCOc1ccc(C(C)C)cc1.CC(C)CC(CC(OCCOc1ccc(C(C)C)cc1)C(C)C)OC1CCCCC1
InChIInChI=1S/C27H46O3.C13H18O2.C8H14O.CH4/c1-20(2)18-26(30-25-10-8-7-9-11-25)19-27(22(5)6)29-17-16-28-24-14-12-23(13-15-24)21(3)4;1-4-14-9-10-15-13-7-5-12(6-8-13)11(2)3;1-2-9-8-6-4-3-5-7-8;/h12-15,20-22,25-27H,7-11,16-19H2,1-6H3;4-8,11H,1,9-10H2,2-3H3;2,8H,1,3-7H2;1H4
InChIKeyFYJDIMBQBRSFBB-UHFFFAOYSA-N
XLogP13.85
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.19
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane?
The IUPAC name of 1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane (CID 158179170) is 1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane.
What is the SMILES notation for 1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane?
The canonical SMILES for 1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane is C.C=COC1CCCCC1.C=COCCOc1ccc(C(C)C)cc1.CC(C)CC(CC(OCCOc1ccc(C(C)C)cc1)C(C)C)OC1CCCCC1.
What is the InChIKey of 1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane?
The InChIKey is FYJDIMBQBRSFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O3.C13H18O2.C8H14O.CH4/c1-20(2)18-26(30-25-10-8-7-9-11-25)19-27(22(5)6)29-17-16-28-24-14-12-23(13-15-24)21(3)4;1-4-14-9-10-15-13-7-5-12(6-8-13)11(2)3;1-2-9-8-6-4-3-5-7-8;/h12-15,20-22,25-27H,7-11,16-19H2,1-6H3;4-8,11H,1,9-10H2,2-3H3;2,8H,1,3-7H2;1H4.
What are the key properties of 1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane?
1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane has a molecular weight of 767.19 g/mol, XLogP of 13.85, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclohexyloxy-2,7-dimethyloctan-3-yl)oxyethoxy]-4-propan-2-ylbenzene;ethenoxycyclohexane;1-(2-ethenoxyethoxy)-4-propan-2-ylbenzene;methane is sourced from PubChem (CID 158179170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).