(6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one

C20H34O3 — CID 10426302

IUPAC(6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one
SMILESC/C(=C\CCC1(C)OCCO1)CC/C=C(\C)CCC(=O)C(C)C
InChIInChI=1S/C20H34O3/c1-16(2)19(21)12-11-18(4)9-6-8-17(3)10-7-13-20(5)22-14-15-23-20/h9-10,16H,6-8,11-15H2,1-5H3/b17-10+,18-9+
InChIKeyFUSWFQXSKPJCJV-SCNFBCNRSA-N
MW322.49 g/mol
LogP5.21
Rot. Bonds10

About (6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one

(6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one (PubChem CID 10426302) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one.

Molecular Properties

Compound Name(6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one
PubChem CID10426302
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one
SMILESC/C(=C\CCC1(C)OCCO1)CC/C=C(\C)CCC(=O)C(C)C
InChIInChI=1S/C20H34O3/c1-16(2)19(21)12-11-18(4)9-6-8-17(3)10-7-13-20(5)22-14-15-23-20/h9-10,16H,6-8,11-15H2,1-5H3/b17-10+,18-9+
InChIKeyFUSWFQXSKPJCJV-SCNFBCNRSA-N
XLogP5.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one?
The IUPAC name of (6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one (CID 10426302) is (6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one.
What is the SMILES notation for (6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one?
The canonical SMILES for (6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one is C/C(=C\CCC1(C)OCCO1)CC/C=C(\C)CCC(=O)C(C)C.
What is the InChIKey of (6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one?
The InChIKey is FUSWFQXSKPJCJV-SCNFBCNRSA-N. The full InChI is InChI=1S/C20H34O3/c1-16(2)19(21)12-11-18(4)9-6-8-17(3)10-7-13-20(5)22-14-15-23-20/h9-10,16H,6-8,11-15H2,1-5H3/b17-10+,18-9+.
What are the key properties of (6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one?
(6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one has a molecular weight of 322.49 g/mol, XLogP of 5.21, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-6,10-dien-3-one is sourced from PubChem (CID 10426302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).