1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane

C12H20O — CID 148656254

IUPAC1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane
SMILESCCC12CC3CC(CC(C)(C3)O1)C2
InChIInChI=1S/C12H20O/c1-3-12-7-9-4-10(8-12)6-11(2,5-9)13-12/h9-10H,3-8H2,1-2H3
InChIKeyNMWZHMGSXNRIPR-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.13
Rot. Bonds1

About 1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane

1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane (PubChem CID 148656254) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane
PubChem CID148656254
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane
SMILESCCC12CC3CC(CC(C)(C3)O1)C2
InChIInChI=1S/C12H20O/c1-3-12-7-9-4-10(8-12)6-11(2,5-9)13-12/h9-10H,3-8H2,1-2H3
InChIKeyNMWZHMGSXNRIPR-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane 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

(5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine
CID 42630324
N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine
CID 44592231
3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
Adamantylsilicone
CID 18798576
6-[3-[(3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-yl)methoxy]phenyl]naphthalene-2-carboxylic acid
CID 57198277
(1,2-dimethyl-2-adamantyl)phosphane
CID 68592204
1-adamantyl(triethyl)azanium hydroxide
CID 53482582
adamantane;1-methyladamantane
CID 53425859
2,2-dimethyladamantane-1,3-diol
CID 141116572
2-(1-adamantyl)butan-2-ylphosphane
CID 166806637
3-(1-adamantyl)pentan-3-ol
CID 3916017
2-ethyl-2-methyladamantane
CID 21349236

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane?
The IUPAC name of 1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane (CID 148656254) is 1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane is CCC12CC3CC(CC(C)(C3)O1)C2.
What is the InChIKey of 1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane?
The InChIKey is NMWZHMGSXNRIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-12-7-9-4-10(8-12)6-11(2,5-9)13-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane?
1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane has a molecular weight of 180.29 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 148656254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).