1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol

C15H28O6 — CID 54108984

IUPAC1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)C1OCC2(CO1)COC(C(O)C(C)C)OC2
InChIInChI=1S/C15H28O6/c1-9(2)11(16)13-18-5-15(6-19-13)7-20-14(21-8-15)12(17)10(3)4/h9-14,16-17H,5-8H2,1-4H3
InChIKeyNFSYIXAWWCIPDS-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.75
Rot. Bonds4

About 1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol

1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol (PubChem CID 54108984) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol
PubChem CID54108984
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)C1OCC2(CO1)COC(C(O)C(C)C)OC2
InChIInChI=1S/C15H28O6/c1-9(2)11(16)13-18-5-15(6-19-13)7-20-14(21-8-15)12(17)10(3)4/h9-14,16-17H,5-8H2,1-4H3
InChIKeyNFSYIXAWWCIPDS-UHFFFAOYSA-N
XLogP0.75
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol (CID 54108984) is 1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol is CC(C)C(O)C1OCC2(CO1)COC(C(O)C(C)C)OC2.
What is the InChIKey of 1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol?
The InChIKey is NFSYIXAWWCIPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6/c1-9(2)11(16)13-18-5-15(6-19-13)7-20-14(21-8-15)12(17)10(3)4/h9-14,16-17H,5-8H2,1-4H3.
What are the key properties of 1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol?
1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol has a molecular weight of 304.38 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxy-2-methylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 54108984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).