2-(2-hexylphenoxy)oxane

C34H52O4 — CID 70186744

IUPAC2-(2-hexylphenoxy)oxane
SMILESCCCCCCc1ccccc1OC1CCCCO1.CCCCCCc1ccccc1OC1CCCCO1
InChIInChI=1S/2C17H26O2/c2*1-2-3-4-5-10-15-11-6-7-12-16(15)19-17-13-8-9-14-18-17/h2*6-7,11-12,17H,2-5,8-10,13-14H2,1H3
InChIKeyBUSFCLILDZLMHZ-UHFFFAOYSA-N
MW524.79 g/mol
LogP9.43
Rot. Bonds14

About 2-(2-hexylphenoxy)oxane

2-(2-hexylphenoxy)oxane (PubChem CID 70186744) has the molecular formula C34H52O4 and a molecular weight of 524.79 g/mol. Its IUPAC name is 2-(2-hexylphenoxy)oxane.

Molecular Properties

Compound Name2-(2-hexylphenoxy)oxane
PubChem CID70186744
Molecular FormulaC34H52O4
Molecular Weight524.79 g/mol
Exact Mass524.39
IUPAC Name2-(2-hexylphenoxy)oxane
SMILESCCCCCCc1ccccc1OC1CCCCO1.CCCCCCc1ccccc1OC1CCCCO1
InChIInChI=1S/2C17H26O2/c2*1-2-3-4-5-10-15-11-6-7-12-16(15)19-17-13-8-9-14-18-17/h2*6-7,11-12,17H,2-5,8-10,13-14H2,1H3
InChIKeyBUSFCLILDZLMHZ-UHFFFAOYSA-N
XLogP9.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.79
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-hexylphenoxy)oxane 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

methanol;2-(2-nonylphenoxy)oxirane
CID 88727067
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
1-(7-cyclopentylheptoxy)-2-octylbenzene
CID 173313687
4-butyl-3-(oxan-2-yloxy)benzenesulfonic acid
CID 22157546
ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate
CID 175083067
2-[2-heptyl-5,6-dimethoxy-3-methyl-4-(oxan-2-yloxy)phenoxy]oxane
CID 162470187
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-methoxy-2-tetradecylbenzene
CID 69169530
2-octacosoxyoxane
CID 11214102
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
1-decyl-2-ethoxybenzene
CID 175243335

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexylphenoxy)oxane?
The IUPAC name of 2-(2-hexylphenoxy)oxane (CID 70186744) is 2-(2-hexylphenoxy)oxane.
What is the SMILES notation for 2-(2-hexylphenoxy)oxane?
The canonical SMILES for 2-(2-hexylphenoxy)oxane is CCCCCCc1ccccc1OC1CCCCO1.CCCCCCc1ccccc1OC1CCCCO1.
What is the InChIKey of 2-(2-hexylphenoxy)oxane?
The InChIKey is BUSFCLILDZLMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H26O2/c2*1-2-3-4-5-10-15-11-6-7-12-16(15)19-17-13-8-9-14-18-17/h2*6-7,11-12,17H,2-5,8-10,13-14H2,1H3.
What are the key properties of 2-(2-hexylphenoxy)oxane?
2-(2-hexylphenoxy)oxane has a molecular weight of 524.79 g/mol, XLogP of 9.43, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexylphenoxy)oxane is sourced from PubChem (CID 70186744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).