carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane

C30H36O4 — CID 123777573

IUPACcarbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane
SMILESCc1ccc2c(c1)CC(c1ccccc1CCOC1CCCCO1)=C2C1CCCCC1.O=C=O
InChIInChI=1S/C29H36O2.CO2/c1-21-14-15-26-24(19-21)20-27(29(26)23-10-3-2-4-11-23)25-12-6-5-9-22(25)16-18-31-28-13-7-8-17-30-28;2-1-3/h5-6,9,12,14-15,19,23,28H,2-4,7-8,10-11,13,16-18,20H2,1H3;
InChIKeyDOCLDYWQCJKQBM-UHFFFAOYSA-N
MW460.61 g/mol
LogP6.54
Rot. Bonds6

About carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane

carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane (PubChem CID 123777573) has the molecular formula C30H36O4 and a molecular weight of 460.61 g/mol. Its IUPAC name is carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane.

Molecular Properties

Compound Namecarbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane
PubChem CID123777573
Molecular FormulaC30H36O4
Molecular Weight460.61 g/mol
Exact Mass460.26
IUPAC Namecarbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane
SMILESCc1ccc2c(c1)CC(c1ccccc1CCOC1CCCCO1)=C2C1CCCCC1.O=C=O
InChIInChI=1S/C29H36O2.CO2/c1-21-14-15-26-24(19-21)20-27(29(26)23-10-3-2-4-11-23)25-12-6-5-9-22(25)16-18-31-28-13-7-8-17-30-28;2-1-3/h5-6,9,12,14-15,19,23,28H,2-4,7-8,10-11,13,16-18,20H2,1H3;
InChIKeyDOCLDYWQCJKQBM-UHFFFAOYSA-N
XLogP6.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.61
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide
CID 123446442
[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid
CID 23152918
2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide
CID 123675940
tert-butyl 19-cyclohexyl-15-methyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-9-carboxylate;bis(carbon dioxide);2-[[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate
CID 157361659
(3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102529916
3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide
CID 11282147
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
CID 87419221
CID 87419221
5-[(E)-2-(cyclohexylamino)ethenyl]-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-4-ol
CID 11190496
6-[4-fluoro-2-[2-(oxan-2-yloxy)ethyl]phenyl]-1H-pyrimidine-2,4-dione
CID 66826611
2-bromo-3-cyclohexyl-6-methyl-1H-indene;1-(2-bromo-3-cyclohexyl-6-methylindol-1-yl)propan-2-one;1-bromopropan-2-one;bis(carbon dioxide)
CID 159482204
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane?
The IUPAC name of carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane (CID 123777573) is carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane.
What is the SMILES notation for carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane?
The canonical SMILES for carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane is Cc1ccc2c(c1)CC(c1ccccc1CCOC1CCCCO1)=C2C1CCCCC1.O=C=O.
What is the InChIKey of carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane?
The InChIKey is DOCLDYWQCJKQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O2.CO2/c1-21-14-15-26-24(19-21)20-27(29(26)23-10-3-2-4-11-23)25-12-6-5-9-22(25)16-18-31-28-13-7-8-17-30-28;2-1-3/h5-6,9,12,14-15,19,23,28H,2-4,7-8,10-11,13,16-18,20H2,1H3;.
What are the key properties of carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane?
carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane has a molecular weight of 460.61 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane is sourced from PubChem (CID 123777573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).