1,3-di(pentan-3-yloxy)benzene

C16H26O2 — CID 91386050

IUPAC1,3-di(pentan-3-yloxy)benzene
SMILESCCC(CC)Oc1cccc(OC(CC)CC)c1
InChIInChI=1S/C16H26O2/c1-5-13(6-2)17-15-10-9-11-16(12-15)18-14(7-3)8-4/h9-14H,5-8H2,1-4H3
InChIKeyAXYHUNWYMGAWPZ-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.82
Rot. Bonds8

About 1,3-di(pentan-3-yloxy)benzene

1,3-di(pentan-3-yloxy)benzene (PubChem CID 91386050) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1,3-di(pentan-3-yloxy)benzene.

Molecular Properties

Compound Name1,3-di(pentan-3-yloxy)benzene
PubChem CID91386050
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1,3-di(pentan-3-yloxy)benzene
SMILESCCC(CC)Oc1cccc(OC(CC)CC)c1
InChIInChI=1S/C16H26O2/c1-5-13(6-2)17-15-10-9-11-16(12-15)18-14(7-3)8-4/h9-14H,5-8H2,1-4H3
InChIKeyAXYHUNWYMGAWPZ-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-di(pentan-3-yloxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1-aminopropoxy)phenoxy]propan-1-amine
CID 21123306
1,3-bis(1-fluoropropoxy)benzene
CID 22027155
2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol
CID 139715170
2-(3-ethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62441022
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
1-ethenyl-3-hexan-3-yloxybenzene
CID 22475808
2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine
CID 62486400
4-[(3-pentan-3-yloxyphenyl)methoxy]benzaldehyde
CID 87614650
4-phenoxyhexanoic acid
CID 166708960
2-chloro-1-fluoro-4-pentan-3-yloxybenzene
CID 166779725
N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine
CID 62460087

Frequently Asked Questions

What is the IUPAC name of 1,3-di(pentan-3-yloxy)benzene?
The IUPAC name of 1,3-di(pentan-3-yloxy)benzene (CID 91386050) is 1,3-di(pentan-3-yloxy)benzene.
What is the SMILES notation for 1,3-di(pentan-3-yloxy)benzene?
The canonical SMILES for 1,3-di(pentan-3-yloxy)benzene is CCC(CC)Oc1cccc(OC(CC)CC)c1.
What is the InChIKey of 1,3-di(pentan-3-yloxy)benzene?
The InChIKey is AXYHUNWYMGAWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-13(6-2)17-15-10-9-11-16(12-15)18-14(7-3)8-4/h9-14H,5-8H2,1-4H3.
What are the key properties of 1,3-di(pentan-3-yloxy)benzene?
1,3-di(pentan-3-yloxy)benzene has a molecular weight of 250.38 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(pentan-3-yloxy)benzene is sourced from PubChem (CID 91386050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).