7-(2-methoxyethoxy)heptan-3-ylbenzene

C16H26O2 — CID 59850685

IUPAC7-(2-methoxyethoxy)heptan-3-ylbenzene
SMILESCCC(CCCCOCCOC)c1ccccc1
InChIInChI=1S/C16H26O2/c1-3-15(16-10-5-4-6-11-16)9-7-8-12-18-14-13-17-2/h4-6,10-11,15H,3,7-9,12-14H2,1-2H3
InChIKeyBYLWOPXDKPELES-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.01
Rot. Bonds10

About 7-(2-methoxyethoxy)heptan-3-ylbenzene

7-(2-methoxyethoxy)heptan-3-ylbenzene (PubChem CID 59850685) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 7-(2-methoxyethoxy)heptan-3-ylbenzene.

Molecular Properties

Compound Name7-(2-methoxyethoxy)heptan-3-ylbenzene
PubChem CID59850685
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name7-(2-methoxyethoxy)heptan-3-ylbenzene
SMILESCCC(CCCCOCCOC)c1ccccc1
InChIInChI=1S/C16H26O2/c1-3-15(16-10-5-4-6-11-16)9-7-8-12-18-14-13-17-2/h4-6,10-11,15H,3,7-9,12-14H2,1-2H3
InChIKeyBYLWOPXDKPELES-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.01
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-5-(2-methoxyethoxy)pentan-2-yl]benzene
CID 103415412
5-(2-methoxyethoxy)-N-methyl-2-phenylpentan-1-amine
CID 103412550
7-phenylnonyl hydrogen carbonate
CID 67180430
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
octan-3-ylbenzene
CID 519547
N-ethyl-6-methoxy-2-phenylhexan-1-amine
CID 81024742
10-phenyldodecyl dihydrogen phosphite
CID 154182802
1,7-bis(2-ethenoxyethoxy)heptan-3-ylbenzene
CID 167148733
N-ethyl-4-(2-methoxyethoxy)-2-phenylbutan-1-amine
CID 65430591
heptan-3-ylbenzene;methane
CID 159006232
(1-ethyl-9-phenyldecyl)benzene
CID 154659486
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethoxy)heptan-3-ylbenzene?
The IUPAC name of 7-(2-methoxyethoxy)heptan-3-ylbenzene (CID 59850685) is 7-(2-methoxyethoxy)heptan-3-ylbenzene.
What is the SMILES notation for 7-(2-methoxyethoxy)heptan-3-ylbenzene?
The canonical SMILES for 7-(2-methoxyethoxy)heptan-3-ylbenzene is CCC(CCCCOCCOC)c1ccccc1.
What is the InChIKey of 7-(2-methoxyethoxy)heptan-3-ylbenzene?
The InChIKey is BYLWOPXDKPELES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-15(16-10-5-4-6-11-16)9-7-8-12-18-14-13-17-2/h4-6,10-11,15H,3,7-9,12-14H2,1-2H3.
What are the key properties of 7-(2-methoxyethoxy)heptan-3-ylbenzene?
7-(2-methoxyethoxy)heptan-3-ylbenzene has a molecular weight of 250.38 g/mol, XLogP of 4.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethoxy)heptan-3-ylbenzene is sourced from PubChem (CID 59850685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).