3-methylidenespiro[4.4]nonane-1,4,9-triol

C10H16O3 — CID 164579757

IUPAC3-methylidenespiro[4.4]nonane-1,4,9-triol
SMILESC=C1CC(O)C2(CCCC2O)C1O
InChIInChI=1S/C10H16O3/c1-6-5-8(12)10(9(6)13)4-2-3-7(10)11/h7-9,11-13H,1-5H2
InChIKeyQOCNKAQVUSCEMQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.20
Rot. Bonds

About 3-methylidenespiro[4.4]nonane-1,4,9-triol

3-methylidenespiro[4.4]nonane-1,4,9-triol (PubChem CID 164579757) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-methylidenespiro[4.4]nonane-1,4,9-triol.

Molecular Properties

Compound Name3-methylidenespiro[4.4]nonane-1,4,9-triol
PubChem CID164579757
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3-methylidenespiro[4.4]nonane-1,4,9-triol
SMILESC=C1CC(O)C2(CCCC2O)C1O
InChIInChI=1S/C10H16O3/c1-6-5-8(12)10(9(6)13)4-2-3-7(10)11/h7-9,11-13H,1-5H2
InChIKeyQOCNKAQVUSCEMQ-UHFFFAOYSA-N
XLogP0.20
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R,9R)-4-methylidenespiro[4.4]nonan-9-ol
CID 102353152
8-Methylidenespiro[4.5]decane-1,4-diol
CID 141073739
8-(Hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol
CID 171798128
cis-(1R,2R)-2-(hydroxymethyl)-2-(3-methylbut-3-enyl)cyclopentan-1-ol
CID 10535497
4-Methylidenespiro[4.4]nonan-9-ol
CID 130129322
2,3-Dihydrofuran-4-yl-(1-ethylcyclopentyl)methanol
CID 130580063

Frequently Asked Questions

What is the IUPAC name of 3-methylidenespiro[4.4]nonane-1,4,9-triol?
The IUPAC name of 3-methylidenespiro[4.4]nonane-1,4,9-triol (CID 164579757) is 3-methylidenespiro[4.4]nonane-1,4,9-triol.
What is the SMILES notation for 3-methylidenespiro[4.4]nonane-1,4,9-triol?
The canonical SMILES for 3-methylidenespiro[4.4]nonane-1,4,9-triol is C=C1CC(O)C2(CCCC2O)C1O.
What is the InChIKey of 3-methylidenespiro[4.4]nonane-1,4,9-triol?
The InChIKey is QOCNKAQVUSCEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-5-8(12)10(9(6)13)4-2-3-7(10)11/h7-9,11-13H,1-5H2.
What are the key properties of 3-methylidenespiro[4.4]nonane-1,4,9-triol?
3-methylidenespiro[4.4]nonane-1,4,9-triol has a molecular weight of 184.23 g/mol, XLogP of 0.20, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenespiro[4.4]nonane-1,4,9-triol is sourced from PubChem (CID 164579757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).