(E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol

C10H16O3 — CID 163618304

IUPAC(E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol
SMILESO/C=C1\CCCC2(CCCCO2)O1
InChIInChI=1S/C10H16O3/c11-8-9-4-3-6-10(13-9)5-1-2-7-12-10/h8,11H,1-7H2/b9-8+
InChIKeyHLWZTFAKSKQWSR-CMDGGOBGSA-N
MW184.23 g/mol
LogP2.48
Rot. Bonds

About (E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol

(E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol (PubChem CID 163618304) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol.

Molecular Properties

Compound Name(E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol
PubChem CID163618304
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol
SMILESO/C=C1\CCCC2(CCCCO2)O1
InChIInChI=1S/C10H16O3/c11-8-9-4-3-6-10(13-9)5-1-2-7-12-10/h8,11H,1-7H2/b9-8+
InChIKeyHLWZTFAKSKQWSR-CMDGGOBGSA-N
XLogP2.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,7-Dioxaspiro[5.5]undec-2-ene
CID 566601
3-Butyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 10774829
3-Methyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 52920813
1,7-Dioxaspiro[5.5]undec-2-en-3-ylmethanol
CID 86109145
(6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 102517941
(6S)-1,7-dioxaspiro[5.5]undec-2-ene
CID 102517943

Frequently Asked Questions

What is the IUPAC name of (E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol?
The IUPAC name of (E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol (CID 163618304) is (E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol.
What is the SMILES notation for (E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol?
The canonical SMILES for (E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol is O/C=C1\CCCC2(CCCCO2)O1.
What is the InChIKey of (E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol?
The InChIKey is HLWZTFAKSKQWSR-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H16O3/c11-8-9-4-3-6-10(13-9)5-1-2-7-12-10/h8,11H,1-7H2/b9-8+.
What are the key properties of (E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol?
(E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol has a molecular weight of 184.23 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol is sourced from PubChem (CID 163618304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).