spiro[4.4]non-8-ene-1,4-diol

C9H14O2 — CID 141024285

IUPACspiro[4.4]non-8-ene-1,4-diol
SMILESOC1CCC(O)C12C=CCC2
InChIInChI=1S/C9H14O2/c10-7-3-4-8(11)9(7)5-1-2-6-9/h1,5,7-8,10-11H,2-4,6H2
InChIKeyDMMFVTQRGWTZNA-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.84
Rot. Bonds

About spiro[4.4]non-8-ene-1,4-diol

spiro[4.4]non-8-ene-1,4-diol (PubChem CID 141024285) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is spiro[4.4]non-8-ene-1,4-diol.

Molecular Properties

Compound Namespiro[4.4]non-8-ene-1,4-diol
PubChem CID141024285
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namespiro[4.4]non-8-ene-1,4-diol
SMILESOC1CCC(O)C12C=CCC2
InChIInChI=1S/C9H14O2/c10-7-3-4-8(11)9(7)5-1-2-6-9/h1,5,7-8,10-11H,2-4,6H2
InChIKeyDMMFVTQRGWTZNA-UHFFFAOYSA-N
XLogP0.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Allyl-2-methylcyclopentane-1,3-diol
CID 130122188
1,2,3,3a,4,6a-Hexahydropentalene-1,3-diol
CID 13844594
1-(5-Hydroxypentyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 68128838
1-(Hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 69293509
Spiro[4.5]dec-8-en-4-ol
CID 130126404
2-Ethenyl-2-ethylcyclopentane-1,3-diol
CID 170563604
8-(Hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol
CID 171798128
trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol
CID 175100984
cis-(1R,2R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 10264943
trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 10423056
trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol
CID 10844877
Spiro[4.5]dec-6-en-1-ol
CID 14294756

Frequently Asked Questions

What is the IUPAC name of spiro[4.4]non-8-ene-1,4-diol?
The IUPAC name of spiro[4.4]non-8-ene-1,4-diol (CID 141024285) is spiro[4.4]non-8-ene-1,4-diol.
What is the SMILES notation for spiro[4.4]non-8-ene-1,4-diol?
The canonical SMILES for spiro[4.4]non-8-ene-1,4-diol is OC1CCC(O)C12C=CCC2.
What is the InChIKey of spiro[4.4]non-8-ene-1,4-diol?
The InChIKey is DMMFVTQRGWTZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-7-3-4-8(11)9(7)5-1-2-6-9/h1,5,7-8,10-11H,2-4,6H2.
What are the key properties of spiro[4.4]non-8-ene-1,4-diol?
spiro[4.4]non-8-ene-1,4-diol has a molecular weight of 154.21 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.4]non-8-ene-1,4-diol is sourced from PubChem (CID 141024285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).