2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol

C14H24O3 — CID 90741490

IUPAC2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol
SMILESCCC=CC[C@@H]1[C@@H](CCO)CCC12OCCO2
InChIInChI=1S/C14H24O3/c1-2-3-4-5-13-12(7-9-15)6-8-14(13)16-10-11-17-14/h3-4,12-13,15H,2,5-11H2,1H3/t12-,13-/m1/s1
InChIKeyCZOQFZFVKPMCIM-CHWSQXEVSA-N
MW240.34 g/mol
LogP2.49
Rot. Bonds5

About 2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol

2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol (PubChem CID 90741490) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol.

Molecular Properties

Compound Name2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol
PubChem CID90741490
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol
SMILESCCC=CC[C@@H]1[C@@H](CCO)CCC12OCCO2
InChIInChI=1S/C14H24O3/c1-2-3-4-5-13-12(7-9-15)6-8-14(13)16-10-11-17-14/h3-4,12-13,15H,2,5-11H2,1H3/t12-,13-/m1/s1
InChIKeyCZOQFZFVKPMCIM-CHWSQXEVSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

acetic acid;2-[(8S,9S)-9-prop-2-ynyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol
CID 71384523
methyl (E)-5-[(8R,9R)-8-(2-methoxy-2-oxoethyl)-1,4-dioxaspiro[4.4]nonan-9-yl]pent-3-enoate
CID 11120530
(1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
CID 53483796
(1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
CID 58906732
2-(9-pentyl-1,4-dioxaspiro[4.4]nonan-8-yl)ethyl acetate
CID 152765326
9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene
CID 71328502
ethyl 2-(9-hexyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate
CID 139765484
(8S,9R)-8-methyl-9-pentyl-1,4-dioxaspiro[4.4]nonane
CID 154944031
(6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol
CID 102463401
ethyl 7-[(8S,9R)-8-[(3S)-3-hydroxy-4,4-dimethyloctyl]-1,4-dioxaspiro[4.4]nonan-9-yl]heptanoate
CID 163694737
4-[(E)-pent-2-enyl]oxane
CID 134407828
[(4R,5S)-2,2-dimethyl-5-[(Z)-pent-2-enyl]-1,3-dioxolan-4-yl]methanol
CID 14191868

Frequently Asked Questions

What is the IUPAC name of 2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol?
The IUPAC name of 2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol (CID 90741490) is 2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol.
What is the SMILES notation for 2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol?
The canonical SMILES for 2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol is CCC=CC[C@@H]1[C@@H](CCO)CCC12OCCO2.
What is the InChIKey of 2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol?
The InChIKey is CZOQFZFVKPMCIM-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-3-4-5-13-12(7-9-15)6-8-14(13)16-10-11-17-14/h3-4,12-13,15H,2,5-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of 2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol?
2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol has a molecular weight of 240.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol is sourced from PubChem (CID 90741490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).