1,3-dibutoxy-2-methylbenzene

C15H24O2 — CID 14475066

IUPAC1,3-dibutoxy-2-methylbenzene
SMILESCCCCOc1cccc(OCCCC)c1C
InChIInChI=1S/C15H24O2/c1-4-6-11-16-14-9-8-10-15(13(14)3)17-12-7-5-2/h8-10H,4-7,11-12H2,1-3H3
InChIKeyHIJANTDOZZDFJF-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.35
Rot. Bonds8

About 1,3-dibutoxy-2-methylbenzene

1,3-dibutoxy-2-methylbenzene (PubChem CID 14475066) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1,3-dibutoxy-2-methylbenzene.

Molecular Properties

Compound Name1,3-dibutoxy-2-methylbenzene
PubChem CID14475066
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1,3-dibutoxy-2-methylbenzene
SMILESCCCCOc1cccc(OCCCC)c1C
InChIInChI=1S/C15H24O2/c1-4-6-11-16-14-9-8-10-15(13(14)3)17-12-7-5-2/h8-10H,4-7,11-12H2,1-3H3
InChIKeyHIJANTDOZZDFJF-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.35
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

1-bromo-3-butoxy-2-methylbenzene
CID 148580780
2-methyl-3-propoxyaniline
CID 23134606
1-butoxynaphthalene
CID 13262700
ethane;1-ethyl-3-hexoxy-2-methylbenzene;propane
CID 145227676
3-hexoxy-2-methylbenzoic acid
CID 82826739
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
CID 68585284
CID 68585284
5-butoxynaphthalen-1-amine
CID 67167958
1,4-dibutoxynaphthalene
CID 22016411

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutoxy-2-methylbenzene?
The IUPAC name of 1,3-dibutoxy-2-methylbenzene (CID 14475066) is 1,3-dibutoxy-2-methylbenzene.
What is the SMILES notation for 1,3-dibutoxy-2-methylbenzene?
The canonical SMILES for 1,3-dibutoxy-2-methylbenzene is CCCCOc1cccc(OCCCC)c1C.
What is the InChIKey of 1,3-dibutoxy-2-methylbenzene?
The InChIKey is HIJANTDOZZDFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-6-11-16-14-9-8-10-15(13(14)3)17-12-7-5-2/h8-10H,4-7,11-12H2,1-3H3.
What are the key properties of 1,3-dibutoxy-2-methylbenzene?
1,3-dibutoxy-2-methylbenzene has a molecular weight of 236.35 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutoxy-2-methylbenzene is sourced from PubChem (CID 14475066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).