4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane

C50H66O11 — CID 175636040

IUPAC4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane
SMILESC/C=C/COCC(COCC(COCC(COCC(COCC1COC(C)(C)O1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C50H66O11/c1-4-5-26-51-31-45(56-27-41-18-10-6-11-19-41)32-52-33-46(57-28-42-20-12-7-13-21-42)34-53-35-47(58-29-43-22-14-8-15-23-43)36-54-37-48(59-30-44-24-16-9-17-25-44)38-55-39-49-40-60-50(2,3)61-49/h4-25,45-49H,26-40H2,1-3H3/b5-4+
InChIKeyMZULZHNDPLULRM-SNAWJCMRSA-N
MW843.07 g/mol
LogP8.14
Rot. Bonds32

About 4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane

4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 175636040) has the molecular formula C50H66O11 and a molecular weight of 843.07 g/mol. Its IUPAC name is 4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID175636040
Molecular FormulaC50H66O11
Molecular Weight843.07 g/mol
Exact Mass842.46
IUPAC Name4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane
SMILESC/C=C/COCC(COCC(COCC(COCC(COCC1COC(C)(C)O1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C50H66O11/c1-4-5-26-51-31-45(56-27-41-18-10-6-11-19-41)32-52-33-46(57-28-42-20-12-7-13-21-42)34-53-35-47(58-29-43-22-14-8-15-23-43)36-54-37-48(59-30-44-24-16-9-17-25-44)38-55-39-49-40-60-50(2,3)61-49/h4-25,45-49H,26-40H2,1-3H3/b5-4+
InChIKeyMZULZHNDPLULRM-SNAWJCMRSA-N
XLogP8.14
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds32
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.07
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane with MolForge

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Related Compounds

1-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-phenylmethoxypropoxy]-3-[2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 177177408
(4S)-2,2-dimethyl-4-[(2R,3S)-3-methyl-2-phenylmethoxypent-4-enyl]-1,3-dioxolane
CID 10661190
(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropan-2-ol
CID 10869218
4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane
CID 159627691
4-[[2-butoxy-3-[2-butoxy-3-[2-butoxy-3-(2-butoxy-3-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 177103576
(4R)-2,2-dimethyl-4-[(E,1R)-2-methyl-1-phenylmethoxybut-2-enyl]-1,3-dioxolane
CID 15311099
(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-3-phenylmethoxybutan-1-ol
CID 10517901
3-[(6,6-dimethyl-1,4-dioxepan-2-yl)methoxy]-2-phenylmethoxypropan-1-ol
CID 59690882
4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 59690888
[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate
CID 151727457
tert-butyl N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-phenylmethoxypropan-2-yl]-N-methylcarbamate
CID 66622747
2,6-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]pyridine
CID 70267435

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane (CID 175636040) is 4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane is C/C=C/COCC(COCC(COCC(COCC(COCC1COC(C)(C)O1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is MZULZHNDPLULRM-SNAWJCMRSA-N. The full InChI is InChI=1S/C50H66O11/c1-4-5-26-51-31-45(56-27-41-18-10-6-11-19-41)32-52-33-46(57-28-42-20-12-7-13-21-42)34-53-35-47(58-29-43-22-14-8-15-23-43)36-54-37-48(59-30-44-24-16-9-17-25-44)38-55-39-49-40-60-50(2,3)61-49/h4-25,45-49H,26-40H2,1-3H3/b5-4+.
What are the key properties of 4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 843.07 g/mol, XLogP of 8.14, 32 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 175636040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).