2-ethoxyadamantane

C12H20O — CID 12653454

IUPAC2-ethoxyadamantane
SMILESCCOC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H20O/c1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,2-7H2,1H3
InChIKeyAYUWVBMUAOJNNF-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.85
Rot. Bonds2

About 2-ethoxyadamantane

2-ethoxyadamantane (PubChem CID 12653454) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-ethoxyadamantane.

Molecular Properties

Compound Name2-ethoxyadamantane
PubChem CID12653454
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-ethoxyadamantane
SMILESCCOC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H20O/c1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,2-7H2,1H3
InChIKeyAYUWVBMUAOJNNF-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Adamantanol
CID 64149
2-Methoxyadamantane
CID 140469
2-Adamantyl acetate
CID 584176
2,2-Dimethoxyadamantane
CID 11435532
1-Ethoxy-adamantane
CID 12504766
O-(2-adamantyl) methylsulfanylmethanethioate
CID 15537763
Adamantan-1-ylmethyl methyl ether
CID 14242275
2-Vinyloxytricyclo[3.3.1.13,7]decane
CID 22719411
Dicyclohexylmethyl-ether
CID 56630674
1-(Adamantan-1-yloxy)pentane
CID 66992851
2-(2,2,2-Trifluoroethoxy)adamantane
CID 12601430
2-(3,3,4,4-Tetrafluorohexoxy)adamantane
CID 60069697

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyadamantane?
The IUPAC name of 2-ethoxyadamantane (CID 12653454) is 2-ethoxyadamantane.
What is the SMILES notation for 2-ethoxyadamantane?
The canonical SMILES for 2-ethoxyadamantane is CCOC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-ethoxyadamantane?
The InChIKey is AYUWVBMUAOJNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,2-7H2,1H3.
What are the key properties of 2-ethoxyadamantane?
2-ethoxyadamantane has a molecular weight of 180.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyadamantane is sourced from PubChem (CID 12653454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).