8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene

C22H40O2 — CID 11313705

IUPAC8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCCCCCCCCCCCCCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17-22(18-16-21)23-19-20-24-22/h15H,2-14,16-20H2,1H3
InChIKeyHEJNIEYKMVRDPD-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.93
Rot. Bonds13

About 8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene

8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 11313705) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID11313705
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCCCCCCCCCCCCCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17-22(18-16-21)23-19-20-24-22/h15H,2-14,16-20H2,1H3
InChIKeyHEJNIEYKMVRDPD-UHFFFAOYSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13214222
8-(4-Ethoxy-5,6-difluorocyclohexen-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 144164078
8-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13023893
9-Octadecenyl-1-O-glycerol, isopropylidene derivative
CID 13374781
8-Propylidene-1,4-dioxaspiro[4.5]decane
CID 102119364
7-Ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13023903
2-[2-(Cyclohept-1-en-1-yl)ethyl]-2-methyl-1,3-dioxolane
CID 13215923
4-Allyl-2,2-dimethyl-5-(4-methyl-pent-3-enyl)-[1,3]dioxolane
CID 76004685
8-(6-Methylhept-5-en-2-ylidene)-1,4-dioxaspiro[4.5]decane
CID 135005805
8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene
CID 155935847
1-Acetylcyclohexene ethyleneacetal
CID 10678693
3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol
CID 10845642

Frequently Asked Questions

What is the IUPAC name of 8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 11313705) is 8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene is CCCCCCCCCCCCCCC1=CCC2(CC1)OCCO2.
What is the InChIKey of 8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is HEJNIEYKMVRDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17-22(18-16-21)23-19-20-24-22/h15H,2-14,16-20H2,1H3.
What are the key properties of 8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene?
8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 336.56 g/mol, XLogP of 6.93, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 11313705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).