5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine

C14H20O2 — CID 177208760

IUPAC5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)CCCc1cccc2c1OCCO2
InChIInChI=1S/C14H20O2/c1-11(2)5-3-6-12-7-4-8-13-14(12)16-10-9-15-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3
InChIKeyHLEBKVBNYXEJGA-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.44
Rot. Bonds4

About 5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine

5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 177208760) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID177208760
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)CCCc1cccc2c1OCCO2
InChIInChI=1S/C14H20O2/c1-11(2)5-3-6-12-7-4-8-13-14(12)16-10-9-15-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3
InChIKeyHLEBKVBNYXEJGA-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromopropyl)-2,3-dihydro-1,4-benzodioxine
CID 11780152
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpropan-1-amine
CID 43583302
3-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-1-ol
CID 117297659
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-methylbutan-1-amine
CID 43583425
2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride
CID 2795039
N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 66568533
(2S)-2-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)propane-1,2-diamine
CID 104867725
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethylpentan-2-amine
CID 63843116
(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propan-1-ol
CID 93187642
2-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methylbutane-1,2-diamine
CID 114176310
(1R)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 81348346
(1S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 81347629

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine (CID 177208760) is 5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine is CC(C)CCCc1cccc2c1OCCO2.
What is the InChIKey of 5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is HLEBKVBNYXEJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)5-3-6-12-7-4-8-13-14(12)16-10-9-15-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3.
What are the key properties of 5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine?
5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 220.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 177208760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).