1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol

C15H29NO6 — CID 10903259

IUPAC1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol
SMILESCC1(C)OC[C@H](CNCC(O)COC[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C15H29NO6/c1-14(2)19-9-12(21-14)6-16-5-11(17)7-18-8-13-10-20-15(3,4)22-13/h11-13,16-17H,5-10H2,1-4H3/t11?,12-,13-/m0/s1
InChIKeyUHQVRMRELNKZQL-SPOOISQMSA-N
MW319.40 g/mol
LogP0.26
Rot. Bonds8

About 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol

1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol (PubChem CID 10903259) has the molecular formula C15H29NO6 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol
PubChem CID10903259
Molecular FormulaC15H29NO6
Molecular Weight319.40 g/mol
Exact Mass319.20
IUPAC Name1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol
SMILESCC1(C)OC[C@H](CNCC(O)COC[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C15H29NO6/c1-14(2)19-9-12(21-14)6-16-5-11(17)7-18-8-13-10-20-15(3,4)22-13/h11-13,16-17H,5-10H2,1-4H3/t11?,12-,13-/m0/s1
InChIKeyUHQVRMRELNKZQL-SPOOISQMSA-N
XLogP0.26
TPSA78.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate
CID 7176363
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
(2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol
CID 10809321
N-[[(2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxypropyl]carbamothioyl]-4-methoxybenzamide
CID 7360290
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 107386040
2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane
CID 59660808
4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 59690888
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 146450833
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]propan-1-ol
CID 56946744
(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 57158294
2,2-dimethyl-4-(2-propoxyhexadecoxymethyl)-1,3-dioxolane
CID 622798

Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol?
The IUPAC name of 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol (CID 10903259) is 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol is CC1(C)OC[C@H](CNCC(O)COC[C@H]2COC(C)(C)O2)O1.
What is the InChIKey of 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol?
The InChIKey is UHQVRMRELNKZQL-SPOOISQMSA-N. The full InChI is InChI=1S/C15H29NO6/c1-14(2)19-9-12(21-14)6-16-5-11(17)7-18-8-13-10-20-15(3,4)22-13/h11-13,16-17H,5-10H2,1-4H3/t11?,12-,13-/m0/s1.
What are the key properties of 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol?
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol has a molecular weight of 319.40 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 10903259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).