[8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid)

C20H34O6 — CID 162254811

IUPAC[8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.OCC1(CO)CCC2(CCCC2)CC1
InChIInChI=1S/C12H22O2.2C4H6O2/c13-9-12(10-14)7-5-11(6-8-12)3-1-2-4-11;2*1-3(2)4(5)6/h13-14H,1-10H2;2*1H2,2H3,(H,5,6)
InChIKeyZYLKUNAWLJPVII-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.39
Rot. Bonds4

About [8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid)

[8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid) (PubChem CID 162254811) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is [8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name[8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid)
PubChem CID162254811
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name[8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.OCC1(CO)CCC2(CCCC2)CC1
InChIInChI=1S/C12H22O2.2C4H6O2/c13-9-12(10-14)7-5-11(6-8-12)3-1-2-4-11;2*1-3(2)4(5)6/h13-14H,1-10H2;2*1H2,2H3,(H,5,6)
InChIKeyZYLKUNAWLJPVII-UHFFFAOYSA-N
XLogP3.39
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of [8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid) (CID 162254811) is [8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for [8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for [8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.OCC1(CO)CCC2(CCCC2)CC1.
What is the InChIKey of [8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid)?
The InChIKey is ZYLKUNAWLJPVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2.2C4H6O2/c13-9-12(10-14)7-5-11(6-8-12)3-1-2-4-11;2*1-3(2)4(5)6/h13-14H,1-10H2;2*1H2,2H3,(H,5,6).
What are the key properties of [8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid)?
[8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid) has a molecular weight of 370.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 162254811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).