1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol

C10H16O3 — CID 176671831

IUPAC1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol
SMILESOCC1=CCCC2(C1)OCCCO2
InChIInChI=1S/C10H16O3/c11-8-9-3-1-4-10(7-9)12-5-2-6-13-10/h3,11H,1-2,4-8H2
InChIKeySPTZUESCCXCPOQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.22
Rot. Bonds1

About 1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol

1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol (PubChem CID 176671831) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol.

Molecular Properties

Compound Name1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol
PubChem CID176671831
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol
SMILESOCC1=CCCC2(C1)OCCCO2
InChIInChI=1S/C10H16O3/c11-8-9-3-1-4-10(7-9)12-5-2-6-13-10/h3,11H,1-2,4-8H2
InChIKeySPTZUESCCXCPOQ-UHFFFAOYSA-N
XLogP1.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene
CID 10849980
spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol
CID 567532
(5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol
CID 15162522
2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane
CID 71390760
4,9-dioxaspiro[2.6]nonane
CID 68651979
(12E)-1,4-dioxaspiro[4.15]icos-12-ene
CID 11357975
3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid
CID 53243639
spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol
CID 15054252
7-methylidene-1,4-dioxaspiro[4.8]tridecane
CID 10750402
methyl spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-carboxylate
CID 12036758
CID 13370497
CID 13370497
8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]
CID 102215184

Frequently Asked Questions

What is the IUPAC name of 1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol?
The IUPAC name of 1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol (CID 176671831) is 1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol.
What is the SMILES notation for 1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol?
The canonical SMILES for 1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol is OCC1=CCCC2(C1)OCCCO2.
What is the InChIKey of 1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol?
The InChIKey is SPTZUESCCXCPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-8-9-3-1-4-10(7-9)12-5-2-6-13-10/h3,11H,1-2,4-8H2.
What are the key properties of 1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol?
1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol has a molecular weight of 184.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol is sourced from PubChem (CID 176671831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).