2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane

C19H32O3 — CID 134971317

IUPAC2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane
SMILESC/C(=C\CC1(C)OCCO1)CC/C=C(\C)CCC1OC1(C)C
InChIInChI=1S/C19H32O3/c1-15(9-10-17-18(3,4)22-17)7-6-8-16(2)11-12-19(5)20-13-14-21-19/h7,11,17H,6,8-10,12-14H2,1-5H3/b15-7+,16-11+
InChIKeyFZTYBMIPHUEUNK-MNBXHXLRSA-N
MW308.46 g/mol
LogP4.77
Rot. Bonds8

About 2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane

2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane (PubChem CID 134971317) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane
PubChem CID134971317
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane
SMILESC/C(=C\CC1(C)OCCO1)CC/C=C(\C)CCC1OC1(C)C
InChIInChI=1S/C19H32O3/c1-15(9-10-17-18(3,4)22-17)7-6-8-16(2)11-12-19(5)20-13-14-21-19/h7,11,17H,6,8-10,12-14H2,1-5H3/b15-7+,16-11+
InChIKeyFZTYBMIPHUEUNK-MNBXHXLRSA-N
XLogP4.77
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane (CID 134971317) is 2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane is C/C(=C\CC1(C)OCCO1)CC/C=C(\C)CCC1OC1(C)C.
What is the InChIKey of 2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane?
The InChIKey is FZTYBMIPHUEUNK-MNBXHXLRSA-N. The full InChI is InChI=1S/C19H32O3/c1-15(9-10-17-18(3,4)22-17)7-6-8-16(2)11-12-19(5)20-13-14-21-19/h7,11,17H,6,8-10,12-14H2,1-5H3/b15-7+,16-11+.
What are the key properties of 2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane?
2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane has a molecular weight of 308.46 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 134971317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).