[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate

C22H35NO6 — CID 151727457

IUPAC[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate
SMILESCC(C(COCc1ccccc1)COCC1COC(C)(C)O1)C(C)(C)OC(N)=O
InChIInChI=1S/C22H35NO6/c1-16(21(2,3)29-20(23)24)18(12-25-11-17-9-7-6-8-10-17)13-26-14-19-15-27-22(4,5)28-19/h6-10,16,18-19H,11-15H2,1-5H3,(H2,23,24)
InChIKeyRJWLNIFMLMBQTB-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.50
Rot. Bonds11

About [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate

[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate (PubChem CID 151727457) has the molecular formula C22H35NO6 and a molecular weight of 409.52 g/mol. Its IUPAC name is [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate.

Molecular Properties

Compound Name[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate
PubChem CID151727457
Molecular FormulaC22H35NO6
Molecular Weight409.52 g/mol
Exact Mass409.25
IUPAC Name[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate
SMILESCC(C(COCc1ccccc1)COCC1COC(C)(C)O1)C(C)(C)OC(N)=O
InChIInChI=1S/C22H35NO6/c1-16(21(2,3)29-20(23)24)18(12-25-11-17-9-7-6-8-10-17)13-26-14-19-15-27-22(4,5)28-19/h6-10,16,18-19H,11-15H2,1-5H3,(H2,23,24)
InChIKeyRJWLNIFMLMBQTB-UHFFFAOYSA-N
XLogP3.50
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-phenylmethoxypropan-2-yl]-N-methylcarbamate
CID 66622747
(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropan-2-ol
CID 10869218
methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate
CID 7176363
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
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
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate
CID 71052698
bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate
CID 165344136
(4S)-4-[(1R)-1-fluoro-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolane
CID 140879278
benzyl 3,3-dimethyl-2,4-dioxabicyclo[4.2.0]octane-7-carboxylate
CID 170055279
2-[(4S,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl acetate
CID 71481945
(4S)-2,2-dimethyl-4-[(2R,3S)-3-methyl-2-phenylmethoxypent-4-enyl]-1,3-dioxolane
CID 10661190
(2-benzyl-2-methyl-1,3-dioxolan-4-yl)methyl 3-methylbutanoate
CID 90344642

Frequently Asked Questions

What is the IUPAC name of [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate?
The IUPAC name of [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate (CID 151727457) is [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate.
What is the SMILES notation for [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate?
The canonical SMILES for [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate is CC(C(COCc1ccccc1)COCC1COC(C)(C)O1)C(C)(C)OC(N)=O.
What is the InChIKey of [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate?
The InChIKey is RJWLNIFMLMBQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO6/c1-16(21(2,3)29-20(23)24)18(12-25-11-17-9-7-6-8-10-17)13-26-14-19-15-27-22(4,5)28-19/h6-10,16,18-19H,11-15H2,1-5H3,(H2,23,24).
What are the key properties of [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate?
[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate has a molecular weight of 409.52 g/mol, XLogP of 3.50, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-2,3-dimethyl-5-phenylmethoxypentan-2-yl] carbamate is sourced from PubChem (CID 151727457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).