7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene]

C27H32O5 — CID 54315328

IUPAC7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene]
SMILESCOc1ccc2c(c1)OC1(C=C2)OC(CCC(C)=CCOCc2ccccc2)C(C)(C)O1
InChIInChI=1S/C27H32O5/c1-20(15-17-29-19-21-8-6-5-7-9-21)10-13-25-26(2,3)32-27(31-25)16-14-22-11-12-23(28-4)18-24(22)30-27/h5-9,11-12,14-16,18,25H,10,13,17,19H2,1-4H3
InChIKeySNTIFLDINWKZFV-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.89
Rot. Bonds8

About 7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene]

7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene] (PubChem CID 54315328) has the molecular formula C27H32O5 and a molecular weight of 436.55 g/mol. Its IUPAC name is 7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene].

Molecular Properties

Compound Name7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene]
PubChem CID54315328
Molecular FormulaC27H32O5
Molecular Weight436.55 g/mol
Exact Mass436.22
IUPAC Name7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene]
SMILESCOc1ccc2c(c1)OC1(C=C2)OC(CCC(C)=CCOCc2ccccc2)C(C)(C)O1
InChIInChI=1S/C27H32O5/c1-20(15-17-29-19-21-8-6-5-7-9-21)10-13-25-26(2,3)32-27(31-25)16-14-22-11-12-23(28-4)18-24(22)30-27/h5-9,11-12,14-16,18,25H,10,13,17,19H2,1-4H3
InChIKeySNTIFLDINWKZFV-UHFFFAOYSA-N
XLogP5.89
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene] with MolForge

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Related Compounds

2,2-dimethyl-3-[(3E,7E,11E)-3,7,11-trimethyl-13-phenylmethoxytrideca-3,7,11-trienyl]oxirane
CID 11234877
4-[5-[(2R,4R)-7'-[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-5,5-dimethylspiro[1,3-dioxolane-2,2'-chromene]-4-yl]-3-methylpent-2-enoxy]benzo[f][1]benzofuran-7-ol
CID 91077163
4-[(E)-5-[(2S,4R)-7'-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-5,5-dimethylspiro[1,3-dioxolane-2,2'-chromene]-4-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
CID 59959324
(2S)-7'-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-4,4-dimethyl-5-propylspiro[1,3-dioxolane-2,2'-chromene];ethane;4-(3-methylbut-2-enoxy)-7H-furo[3,2-h][1]benzoxepin-8-one
CID 143436839
(2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene]
CID 143436878
7-[(E)-5-[(2S,4R)-4'-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]-3-methylpent-2-enoxy]chromen-2-one
CID 59959320
[(E)-3-methylpent-2-enoxy]methylbenzene
CID 12622244
3-[(3E,7E)-9-(3-ethylphenoxy)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane
CID 5383795
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
CID 100941395
7-[[(E)-5-[4'-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]-3-methylpent-2-enyl]amino]chromen-2-one
CID 143436879
[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
CID 11572215
7-[(E)-5-[5'-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]-3-methylpent-2-enoxy]chromen-2-one
CID 58662800

Frequently Asked Questions

What is the IUPAC name of 7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene]?
The IUPAC name of 7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene] (CID 54315328) is 7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene].
What is the SMILES notation for 7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene]?
The canonical SMILES for 7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene] is COc1ccc2c(c1)OC1(C=C2)OC(CCC(C)=CCOCc2ccccc2)C(C)(C)O1.
What is the InChIKey of 7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene]?
The InChIKey is SNTIFLDINWKZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O5/c1-20(15-17-29-19-21-8-6-5-7-9-21)10-13-25-26(2,3)32-27(31-25)16-14-22-11-12-23(28-4)18-24(22)30-27/h5-9,11-12,14-16,18,25H,10,13,17,19H2,1-4H3.
What are the key properties of 7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene]?
7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene] has a molecular weight of 436.55 g/mol, XLogP of 5.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methoxy-4,4-dimethyl-5-(3-methyl-5-phenylmethoxypent-3-enyl)spiro[1,3-dioxolane-2,2'-chromene] is sourced from PubChem (CID 54315328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).