2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol

C15H28O6 — CID 70009359

IUPAC2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol
SMILESCCC(CO)C1OCC2(CO1)COC(C(CC)CO)OC2
InChIInChI=1S/C15H28O6/c1-3-11(5-16)13-18-7-15(8-19-13)9-20-14(21-10-15)12(4-2)6-17/h11-14,16-17H,3-10H2,1-2H3
InChIKeyFVHGFTBRFNRRBN-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.76
Rot. Bonds6

About 2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol

2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol (PubChem CID 70009359) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol.

Molecular Properties

Compound Name2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol
PubChem CID70009359
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol
SMILESCCC(CO)C1OCC2(CO1)COC(C(CC)CO)OC2
InChIInChI=1S/C15H28O6/c1-3-11(5-16)13-18-7-15(8-19-13)9-20-14(21-10-15)12(4-2)6-17/h11-14,16-17H,3-10H2,1-2H3
InChIKeyFVHGFTBRFNRRBN-UHFFFAOYSA-N
XLogP0.76
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol?
The IUPAC name of 2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol (CID 70009359) is 2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol.
What is the SMILES notation for 2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol?
The canonical SMILES for 2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol is CCC(CO)C1OCC2(CO1)COC(C(CC)CO)OC2.
What is the InChIKey of 2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol?
The InChIKey is FVHGFTBRFNRRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6/c1-3-11(5-16)13-18-7-15(8-19-13)9-20-14(21-10-15)12(4-2)6-17/h11-14,16-17H,3-10H2,1-2H3.
What are the key properties of 2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol?
2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol has a molecular weight of 304.38 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol is sourced from PubChem (CID 70009359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).