butoxymethylbenzene;ethane

C15H28O — CID 145341806

IUPACbutoxymethylbenzene;ethane
SMILESCC.CC.CCCCOCc1ccccc1
InChIInChI=1S/C11H16O.2C2H6/c1-2-3-9-12-10-11-7-5-4-6-8-11;2*1-2/h4-8H,2-3,9-10H2,1H3;2*1-2H3
InChIKeyOBSLNOOJWCRSBB-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.06
Rot. Bonds5

About butoxymethylbenzene;ethane

butoxymethylbenzene;ethane (PubChem CID 145341806) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is butoxymethylbenzene;ethane.

Molecular Properties

Compound Namebutoxymethylbenzene;ethane
PubChem CID145341806
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Namebutoxymethylbenzene;ethane
SMILESCC.CC.CCCCOCc1ccccc1
InChIInChI=1S/C11H16O.2C2H6/c1-2-3-9-12-10-11-7-5-4-6-8-11;2*1-2/h4-8H,2-3,9-10H2,1H3;2*1-2H3
InChIKeyOBSLNOOJWCRSBB-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;butoxymethylbenzene;hydride
CID 175482454
acetic acid;butoxymethylbenzene
CID 139463153
butoxymethylbenzene;phenylmethanamine
CID 142079106
azane;hexoxymethylbenzene
CID 174805489
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
undec-4-enoxymethylbenzene
CID 158781580

Frequently Asked Questions

What is the IUPAC name of butoxymethylbenzene;ethane?
The IUPAC name of butoxymethylbenzene;ethane (CID 145341806) is butoxymethylbenzene;ethane.
What is the SMILES notation for butoxymethylbenzene;ethane?
The canonical SMILES for butoxymethylbenzene;ethane is CC.CC.CCCCOCc1ccccc1.
What is the InChIKey of butoxymethylbenzene;ethane?
The InChIKey is OBSLNOOJWCRSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.2C2H6/c1-2-3-9-12-10-11-7-5-4-6-8-11;2*1-2/h4-8H,2-3,9-10H2,1H3;2*1-2H3.
What are the key properties of butoxymethylbenzene;ethane?
butoxymethylbenzene;ethane has a molecular weight of 224.39 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethylbenzene;ethane is sourced from PubChem (CID 145341806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).