(Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal

C19H23FO5 — CID 163295143

IUPAC(Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal
SMILESCOc1ccc(COC2(/C(F)=C/C=O)CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C19H23FO5/c1-22-16-4-2-15(3-5-16)14-25-18(17(20)6-11-21)7-9-19(10-8-18)23-12-13-24-19/h2-6,11H,7-10,12-14H2,1H3/b17-6-
InChIKeySVUDVKAXBJBBBQ-FMQZQXMHSA-N
MW350.39 g/mol
LogP3.32
Rot. Bonds6

About (Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal

(Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal (PubChem CID 163295143) has the molecular formula C19H23FO5 and a molecular weight of 350.39 g/mol. Its IUPAC name is (Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal
PubChem CID163295143
Molecular FormulaC19H23FO5
Molecular Weight350.39 g/mol
Exact Mass350.15
IUPAC Name(Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal
SMILESCOc1ccc(COC2(/C(F)=C/C=O)CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C19H23FO5/c1-22-16-4-2-15(3-5-16)14-25-18(17(20)6-11-21)7-9-19(10-8-18)23-12-13-24-19/h2-6,11H,7-10,12-14H2,1H3/b17-6-
InChIKeySVUDVKAXBJBBBQ-FMQZQXMHSA-N
XLogP3.32
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal?
The IUPAC name of (Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal (CID 163295143) is (Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal.
What is the SMILES notation for (Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal?
The canonical SMILES for (Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal is COc1ccc(COC2(/C(F)=C/C=O)CCC3(CC2)OCCO3)cc1.
What is the InChIKey of (Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal?
The InChIKey is SVUDVKAXBJBBBQ-FMQZQXMHSA-N. The full InChI is InChI=1S/C19H23FO5/c1-22-16-4-2-15(3-5-16)14-25-18(17(20)6-11-21)7-9-19(10-8-18)23-12-13-24-19/h2-6,11H,7-10,12-14H2,1H3/b17-6-.
What are the key properties of (Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal?
(Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal has a molecular weight of 350.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal is sourced from PubChem (CID 163295143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).