1-decyl-2-ethoxybenzene

C18H30O — CID 175243335

IUPAC1-decyl-2-ethoxybenzene
SMILESCCCCCCCCCCc1ccccc1OCC
InChIInChI=1S/C18H30O/c1-3-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19-4-2/h12-13,15-16H,3-11,14H2,1-2H3
InChIKeyKZRCKBOGBSJTFI-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.77
Rot. Bonds11

About 1-decyl-2-ethoxybenzene

1-decyl-2-ethoxybenzene (PubChem CID 175243335) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-decyl-2-ethoxybenzene.

Molecular Properties

Compound Name1-decyl-2-ethoxybenzene
PubChem CID175243335
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-decyl-2-ethoxybenzene
SMILESCCCCCCCCCCc1ccccc1OCC
InChIInChI=1S/C18H30O/c1-3-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19-4-2/h12-13,15-16H,3-11,14H2,1-2H3
InChIKeyKZRCKBOGBSJTFI-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-decyl-2-ethoxybenzene 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-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88512513
1-methoxy-2-tetradecylbenzene
CID 69169530
2-(2-dodecylphenoxy)ethanol
CID 14475097
2-ethoxy-6-heptadecylphenol
CID 10499794
1-hexyl-2-(2,2,2-trichloroethoxy)benzene
CID 54232369
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
(2-octylphenoxy)phosphane
CID 163637323
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
1-(3-bromopropyl)-2-ethoxybenzene
CID 18786539

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-ethoxybenzene?
The IUPAC name of 1-decyl-2-ethoxybenzene (CID 175243335) is 1-decyl-2-ethoxybenzene.
What is the SMILES notation for 1-decyl-2-ethoxybenzene?
The canonical SMILES for 1-decyl-2-ethoxybenzene is CCCCCCCCCCc1ccccc1OCC.
What is the InChIKey of 1-decyl-2-ethoxybenzene?
The InChIKey is KZRCKBOGBSJTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-3-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19-4-2/h12-13,15-16H,3-11,14H2,1-2H3.
What are the key properties of 1-decyl-2-ethoxybenzene?
1-decyl-2-ethoxybenzene has a molecular weight of 262.44 g/mol, XLogP of 5.77, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-ethoxybenzene is sourced from PubChem (CID 175243335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).