2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane

C23H38O3 — CID 144530231

IUPAC2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
SMILESCCCCCCCCCCC.O=C(O)COc1cccc2c1CCCC2
InChIInChI=1S/C12H14O3.C11H24/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11;1-3-5-7-9-11-10-8-6-4-2/h3,5,7H,1-2,4,6,8H2,(H,13,14);3-11H2,1-2H3
InChIKeyLGHLFRTVHVQTDW-UHFFFAOYSA-N
MW362.55 g/mol
LogP6.57
Rot. Bonds11

About 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane

2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane (PubChem CID 144530231) has the molecular formula C23H38O3 and a molecular weight of 362.55 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
PubChem CID144530231
Molecular FormulaC23H38O3
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
SMILESCCCCCCCCCCC.O=C(O)COc1cccc2c1CCCC2
InChIInChI=1S/C12H14O3.C11H24/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11;1-3-5-7-9-11-10-8-6-4-2/h3,5,7H,1-2,4,6,8H2,(H,13,14);3-11H2,1-2H3
InChIKeyLGHLFRTVHVQTDW-UHFFFAOYSA-N
XLogP6.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
2-[[(7S)-7-undecyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 144530116
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
CID 116820516
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate
CID 177236476
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid
CID 112511655
4-(6-octoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)butanoic acid
CID 130293506
4-(6-hexoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)butanoic acid
CID 135389950
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100569732
2-(2-dodecylphenoxy)acetic acid
CID 572415
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]acetic acid
CID 84686583
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid
CID 82086855

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane (CID 144530231) is 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane is CCCCCCCCCCC.O=C(O)COc1cccc2c1CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane?
The InChIKey is LGHLFRTVHVQTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3.C11H24/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11;1-3-5-7-9-11-10-8-6-4-2/h3,5,7H,1-2,4,6,8H2,(H,13,14);3-11H2,1-2H3.
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane?
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane has a molecular weight of 362.55 g/mol, XLogP of 6.57, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane is sourced from PubChem (CID 144530231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).