1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde

C24H40O3 — CID 88539733

IUPAC1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde
SMILESC=C.CCC1CCCC(Cc2cccc(C=O)c2)C1.CCOC(C)OCC
InChIInChI=1S/C16H22O.C6H14O2.C2H4/c1-2-13-5-3-6-14(9-13)10-15-7-4-8-16(11-15)12-17;1-4-7-6(3)8-5-2;1-2/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3;6H,4-5H2,1-3H3;1-2H2
InChIKeyLUEAZGIYXJFCDV-UHFFFAOYSA-N
MW376.58 g/mol
LogP6.47
Rot. Bonds8

About 1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde

1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde (PubChem CID 88539733) has the molecular formula C24H40O3 and a molecular weight of 376.58 g/mol. Its IUPAC name is 1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde.

Molecular Properties

Compound Name1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde
PubChem CID88539733
Molecular FormulaC24H40O3
Molecular Weight376.58 g/mol
Exact Mass376.30
IUPAC Name1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde
SMILESC=C.CCC1CCCC(Cc2cccc(C=O)c2)C1.CCOC(C)OCC
InChIInChI=1S/C16H22O.C6H14O2.C2H4/c1-2-13-5-3-6-14(9-13)10-15-7-4-8-16(11-15)12-17;1-4-7-6(3)8-5-2;1-2/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3;6H,4-5H2,1-3H3;1-2H2
InChIKeyLUEAZGIYXJFCDV-UHFFFAOYSA-N
XLogP6.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
CID 167535995
1,1-diethoxyethane;ethene;4-[(4-methylcyclohexyl)methyl]benzaldehyde
CID 88539943
1,1-diethoxyethane;ethene;3-(2-pyridin-3-ylethyl)benzaldehyde
CID 88650579
3-(oxan-4-ylmethyl)benzaldehyde
CID 105456277
3-(oxetan-3-ylmethyl)benzaldehyde
CID 176709623
2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane
CID 67980113
[3-(2-methylpropyl)cyclohexyl]methylbenzene
CID 154060478
benzaldehyde;1,1-diethoxyethane;2,2-dimethylpropane-1,1-diol
CID 88673769
3-(cyclobutylmethoxy)benzaldehyde
CID 58027526
3-(cycloheptylmethoxy)benzaldehyde
CID 86637613
3-[[(2S)-2-methylpiperidin-1-yl]methyl]benzaldehyde
CID 97294022
benzene-1,3-dicarbaldehyde;ethane
CID 91375977

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde?
The IUPAC name of 1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde (CID 88539733) is 1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde.
What is the SMILES notation for 1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde?
The canonical SMILES for 1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde is C=C.CCC1CCCC(Cc2cccc(C=O)c2)C1.CCOC(C)OCC.
What is the InChIKey of 1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde?
The InChIKey is LUEAZGIYXJFCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O.C6H14O2.C2H4/c1-2-13-5-3-6-14(9-13)10-15-7-4-8-16(11-15)12-17;1-4-7-6(3)8-5-2;1-2/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3;6H,4-5H2,1-3H3;1-2H2.
What are the key properties of 1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde?
1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde has a molecular weight of 376.58 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde is sourced from PubChem (CID 88539733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).