2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate

C15H24O3 — CID 163518228

IUPAC2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate
SMILESCC(=O)OCCOC(C)C12CC3CC(C1)C(C3)C2
InChIInChI=1S/C15H24O3/c1-10(17-3-4-18-11(2)16)15-7-12-5-13(8-15)14(6-12)9-15/h10,12-14H,3-9H2,1-2H3
InChIKeyDIOWEQQKRCAANX-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.78
Rot. Bonds5

About 2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate

2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate (PubChem CID 163518228) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate
PubChem CID163518228
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate
SMILESCC(=O)OCCOC(C)C12CC3CC(C1)C(C3)C2
InChIInChI=1S/C15H24O3/c1-10(17-3-4-18-11(2)16)15-7-12-5-13(8-15)14(6-12)9-15/h10,12-14H,3-9H2,1-2H3
InChIKeyDIOWEQQKRCAANX-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine
CID 163739415
2-(1-chloroethoxy)ethyl acetate
CID 10888290
4-(1-adamantyloxy)butyl acetate
CID 134839652
2-(1-formyloxyethoxy)ethyl adamantane-1-carboxylate
CID 21083076
3-(1-adamantyl)pentan-2-yl carbamate
CID 57081308
1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43105658
2-(1-adamantyl)ethoxymethyl acetate
CID 118688895
ethyl 3-(1-adamantyl)-3-ethoxypropanoate
CID 57132141
ethyl (2R)-2-(1-adamantyl)-2-aminoacetate
CID 124669862
2-acetyloxyethyl 2-[(1S,6S)-3-methyl-7-bicyclo[4.1.0]heptanyl]propanoate
CID 155238078
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate?
The IUPAC name of 2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate (CID 163518228) is 2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate.
What is the SMILES notation for 2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate?
The canonical SMILES for 2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate is CC(=O)OCCOC(C)C12CC3CC(C1)C(C3)C2.
What is the InChIKey of 2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate?
The InChIKey is DIOWEQQKRCAANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-10(17-3-4-18-11(2)16)15-7-12-5-13(8-15)14(6-12)9-15/h10,12-14H,3-9H2,1-2H3.
What are the key properties of 2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate?
2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate has a molecular weight of 252.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate is sourced from PubChem (CID 163518228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).