3-ethylhexan-3-yloxymethoxybenzene

C15H24O2 — CID 150246094

IUPAC3-ethylhexan-3-yloxymethoxybenzene
SMILESCCCC(CC)(CC)OCOc1ccccc1
InChIInChI=1S/C15H24O2/c1-4-12-15(5-2,6-3)17-13-16-14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3
InChIKeyFYNUEVOLSJJZAK-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.40
Rot. Bonds8

About 3-ethylhexan-3-yloxymethoxybenzene

3-ethylhexan-3-yloxymethoxybenzene (PubChem CID 150246094) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-ethylhexan-3-yloxymethoxybenzene.

Molecular Properties

Compound Name3-ethylhexan-3-yloxymethoxybenzene
PubChem CID150246094
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-ethylhexan-3-yloxymethoxybenzene
SMILESCCCC(CC)(CC)OCOc1ccccc1
InChIInChI=1S/C15H24O2/c1-4-12-15(5-2,6-3)17-13-16-14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3
InChIKeyFYNUEVOLSJJZAK-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-(2-phenoxyethoxy)butan-1-amine
CID 65050959
2-(2-phenoxyethoxy)pentan-2-ol
CID 141202879
3-ethylhexan-3-yl benzenecarboperoxoate
CID 101304467
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
3,3-bis(chloromethyl)hexoxybenzene
CID 79447958
hexatriacontoxymethoxybenzene
CID 21131247
nonoxymethoxybenzene
CID 151123684
ethoxybenzene chloride
CID 21193593
4,4-bis(bromomethyl)heptoxybenzene
CID 79456499
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
3-methyl-1-phenoxypentan-3-ol
CID 139819683

Frequently Asked Questions

What is the IUPAC name of 3-ethylhexan-3-yloxymethoxybenzene?
The IUPAC name of 3-ethylhexan-3-yloxymethoxybenzene (CID 150246094) is 3-ethylhexan-3-yloxymethoxybenzene.
What is the SMILES notation for 3-ethylhexan-3-yloxymethoxybenzene?
The canonical SMILES for 3-ethylhexan-3-yloxymethoxybenzene is CCCC(CC)(CC)OCOc1ccccc1.
What is the InChIKey of 3-ethylhexan-3-yloxymethoxybenzene?
The InChIKey is FYNUEVOLSJJZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-12-15(5-2,6-3)17-13-16-14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3.
What are the key properties of 3-ethylhexan-3-yloxymethoxybenzene?
3-ethylhexan-3-yloxymethoxybenzene has a molecular weight of 236.35 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylhexan-3-yloxymethoxybenzene is sourced from PubChem (CID 150246094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).