5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

C15H29NO5 — CID 22975515

IUPAC5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCC(C)N(CC(O)C1OC2OC(C)(C)OC2C1O)C(C)C
InChIInChI=1S/C15H29NO5/c1-8(2)16(9(3)4)7-10(17)12-11(18)13-14(19-12)21-15(5,6)20-13/h8-14,17-18H,7H2,1-6H3
InChIKeyQIXBXTXTUHAEKN-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.70
Rot. Bonds5

About 5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (PubChem CID 22975515) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is 5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
PubChem CID22975515
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Name5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCC(C)N(CC(O)C1OC2OC(C)(C)OC2C1O)C(C)C
InChIInChI=1S/C15H29NO5/c1-8(2)16(9(3)4)7-10(17)12-11(18)13-14(19-12)21-15(5,6)20-13/h8-14,17-18H,7H2,1-6H3
InChIKeyQIXBXTXTUHAEKN-UHFFFAOYSA-N
XLogP0.70
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol with MolForge

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Related Compounds

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Sdccgsbi-0050036.P004
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CID 6604419
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CID 15221044
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CID 45109728
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CID 412309
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Frequently Asked Questions

What is the IUPAC name of 5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of 5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (CID 22975515) is 5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for 5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for 5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is CC(C)N(CC(O)C1OC2OC(C)(C)OC2C1O)C(C)C.
What is the InChIKey of 5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The InChIKey is QIXBXTXTUHAEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-8(2)16(9(3)4)7-10(17)12-11(18)13-14(19-12)21-15(5,6)20-13/h8-14,17-18H,7H2,1-6H3.
What are the key properties of 5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol has a molecular weight of 303.40 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 22975515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).