acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol

C13H24O8 — CID 71335460

IUPACacetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
SMILESCC(=O)O.CC(=O)O.OCC1CC2(CC1CO)OCCO2
InChIInChI=1S/C9H16O4.2C2H4O2/c10-5-7-3-9(4-8(7)6-11)12-1-2-13-9;2*1-2(3)4/h7-8,10-11H,1-6H2;2*1H3,(H,3,4)
InChIKeyRMSUTJQBTGXNIE-UHFFFAOYSA-N
MW308.33 g/mol
LogP-0.08
Rot. Bonds2

About acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol

acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol (PubChem CID 71335460) has the molecular formula C13H24O8 and a molecular weight of 308.33 g/mol. Its IUPAC name is acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol.

Molecular Properties

Compound Nameacetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
PubChem CID71335460
Molecular FormulaC13H24O8
Molecular Weight308.33 g/mol
Exact Mass308.15
IUPAC Nameacetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
SMILESCC(=O)O.CC(=O)O.OCC1CC2(CC1CO)OCCO2
InChIInChI=1S/C9H16O4.2C2H4O2/c10-5-7-3-9(4-8(7)6-11)12-1-2-13-9;2*1-2(3)4/h7-8,10-11H,1-6H2;2*1H3,(H,3,4)
InChIKeyRMSUTJQBTGXNIE-UHFFFAOYSA-N
XLogP-0.08
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol?
The IUPAC name of acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol (CID 71335460) is acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol.
What is the SMILES notation for acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol?
The canonical SMILES for acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol is CC(=O)O.CC(=O)O.OCC1CC2(CC1CO)OCCO2.
What is the InChIKey of acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol?
The InChIKey is RMSUTJQBTGXNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.2C2H4O2/c10-5-7-3-9(4-8(7)6-11)12-1-2-13-9;2*1-2(3)4/h7-8,10-11H,1-6H2;2*1H3,(H,3,4).
What are the key properties of acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol?
acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol has a molecular weight of 308.33 g/mol, XLogP of -0.08, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol is sourced from PubChem (CID 71335460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).