6-methyl-2,3-dihydro-1,4-benzodioxine;undecane

C20H34O2 — CID 144869652

IUPAC6-methyl-2,3-dihydro-1,4-benzodioxine;undecane
SMILESCCCCCCCCCCC.Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H24.C9H10O2/c1-3-5-7-9-11-10-8-6-4-2;1-7-2-3-8-9(6-7)11-5-4-10-8/h3-11H2,1-2H3;2-3,6H,4-5H2,1H3
InChIKeyFDDBZICTLHFWNS-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.30
Rot. Bonds8

About 6-methyl-2,3-dihydro-1,4-benzodioxine;undecane

6-methyl-2,3-dihydro-1,4-benzodioxine;undecane (PubChem CID 144869652) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 6-methyl-2,3-dihydro-1,4-benzodioxine;undecane.

Molecular Properties

Compound Name6-methyl-2,3-dihydro-1,4-benzodioxine;undecane
PubChem CID144869652
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name6-methyl-2,3-dihydro-1,4-benzodioxine;undecane
SMILESCCCCCCCCCCC.Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H24.C9H10O2/c1-3-5-7-9-11-10-8-6-4-2;1-7-2-3-8-9(6-7)11-5-4-10-8/h3-11H2,1-2H3;2-3,6H,4-5H2,1H3
InChIKeyFDDBZICTLHFWNS-UHFFFAOYSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
CID 90365748
17-hexyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 12543485
N-hexyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 28876640
N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63487624
14-octadecyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102066946
5-methyl-1,3-benzodioxole
CID 142082223
6-(1-bromodecyl)-2,3-dihydro-1,4-benzodioxine
CID 22079611
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
CID 43483285
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 28979698
6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene
CID 143901590
(1S)-1-[24-[(1S)-1-hydroxynonyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]nonan-1-ol
CID 98159723

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydro-1,4-benzodioxine;undecane?
The IUPAC name of 6-methyl-2,3-dihydro-1,4-benzodioxine;undecane (CID 144869652) is 6-methyl-2,3-dihydro-1,4-benzodioxine;undecane.
What is the SMILES notation for 6-methyl-2,3-dihydro-1,4-benzodioxine;undecane?
The canonical SMILES for 6-methyl-2,3-dihydro-1,4-benzodioxine;undecane is CCCCCCCCCCC.Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 6-methyl-2,3-dihydro-1,4-benzodioxine;undecane?
The InChIKey is FDDBZICTLHFWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C9H10O2/c1-3-5-7-9-11-10-8-6-4-2;1-7-2-3-8-9(6-7)11-5-4-10-8/h3-11H2,1-2H3;2-3,6H,4-5H2,1H3.
What are the key properties of 6-methyl-2,3-dihydro-1,4-benzodioxine;undecane?
6-methyl-2,3-dihydro-1,4-benzodioxine;undecane has a molecular weight of 306.49 g/mol, XLogP of 6.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydro-1,4-benzodioxine;undecane is sourced from PubChem (CID 144869652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).