(6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene

C17H30O2 — CID 142633658

IUPAC(6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene
SMILESC1=C\C2(CCCCCCCCCCCC/1)OCCO2
InChIInChI=1S/C17H30O2/c1-2-4-6-8-10-12-14-17(18-15-16-19-17)13-11-9-7-5-3-1/h11,13H,1-10,12,14-16H2/b13-11-
InChIKeyROAZPXQTDYQRHI-QBFSEMIESA-N
MW266.42 g/mol
LogP4.98
Rot. Bonds

About (6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene

(6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene (PubChem CID 142633658) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene.

Molecular Properties

Compound Name(6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene
PubChem CID142633658
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene
SMILESC1=C\C2(CCCCCCCCCCCC/1)OCCO2
InChIInChI=1S/C17H30O2/c1-2-4-6-8-10-12-14-17(18-15-16-19-17)13-11-9-7-5-3-1/h11,13H,1-10,12,14-16H2/b13-11-
InChIKeyROAZPXQTDYQRHI-QBFSEMIESA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dioxaspiro(4.6)undec-6-ene
CID 279481
1,4-Dioxaspiro[4.5]dec-6-ene
CID 559316
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
(z,z)-6,9-Heneicosadien-11-one ethylene ketal
CID 129866832
9-Octadecenyl-1-O-glycerol, isopropylidene derivative
CID 13374781
(4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 101188588
2-(Deca-1,4-dien-1-YL)-2-decyl-1,3-dioxolane
CID 71422196
(E,2S)-4-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 71814732
4,6,8-Trioxadispiro[4.1.57.25]tetradec-11-ene
CID 90704592
3-(Methoxymethoxy)-2-undecyl-2,5-dihydrofuran
CID 102055857
Oct-2-en-4-one ethyleneketal
CID 129813424
(e,e,e)-Nonadecatetraen-2-one ethylene acetal
CID 129824544

Frequently Asked Questions

What is the IUPAC name of (6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene?
The IUPAC name of (6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene (CID 142633658) is (6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene.
What is the SMILES notation for (6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene?
The canonical SMILES for (6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene is C1=C\C2(CCCCCCCCCCCC/1)OCCO2.
What is the InChIKey of (6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene?
The InChIKey is ROAZPXQTDYQRHI-QBFSEMIESA-N. The full InChI is InChI=1S/C17H30O2/c1-2-4-6-8-10-12-14-17(18-15-16-19-17)13-11-9-7-5-3-1/h11,13H,1-10,12,14-16H2/b13-11-.
What are the key properties of (6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene?
(6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene has a molecular weight of 266.42 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene is sourced from PubChem (CID 142633658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).