4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine

C20H29NO3 — CID 90962291

IUPAC4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine
SMILESCC1(C)OC(C=Cc2ccc(CN3CCOCC3)cc2)OC1(C)C
InChIInChI=1S/C20H29NO3/c1-19(2)20(3,4)24-18(23-19)10-9-16-5-7-17(8-6-16)15-21-11-13-22-14-12-21/h5-10,18H,11-15H2,1-4H3
InChIKeyDPUDPYBWIWOPFU-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.46
Rot. Bonds4

About 4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine

4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine (PubChem CID 90962291) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine
PubChem CID90962291
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine
SMILESCC1(C)OC(C=Cc2ccc(CN3CCOCC3)cc2)OC1(C)C
InChIInChI=1S/C20H29NO3/c1-19(2)20(3,4)24-18(23-19)10-9-16-5-7-17(8-6-16)15-21-11-13-22-14-12-21/h5-10,18H,11-15H2,1-4H3
InChIKeyDPUDPYBWIWOPFU-UHFFFAOYSA-N
XLogP3.46
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine
CID 59417267
4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]morpholine
CID 118714433
4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine
CID 66734464
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine
CID 87465392
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 1493876
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
2,2-dimethyl-3-[4-(morpholin-4-ylmethyl)anilino]cyclobutan-1-ol
CID 115972171
CID 59303659
CID 59303659

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine (CID 90962291) is 4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine is CC1(C)OC(C=Cc2ccc(CN3CCOCC3)cc2)OC1(C)C.
What is the InChIKey of 4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine?
The InChIKey is DPUDPYBWIWOPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-19(2)20(3,4)24-18(23-19)10-9-16-5-7-17(8-6-16)15-21-11-13-22-14-12-21/h5-10,18H,11-15H2,1-4H3.
What are the key properties of 4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine?
4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine has a molecular weight of 331.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine is sourced from PubChem (CID 90962291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).