2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid

C17H28O3 — CID 175218552

IUPAC2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.CCCC1(C)C2CC3CC(C2)CC1(O)C3
InChIInChI=1S/C14H24O.C3H4O2/c1-3-4-13(2)12-6-10-5-11(7-12)9-14(13,15)8-10;1-2-3(4)5/h10-12,15H,3-9H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyCBMIRPJHIQJOMM-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.62
Rot. Bonds3

About 2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid

2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid (PubChem CID 175218552) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid.

Molecular Properties

Compound Name2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid
PubChem CID175218552
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.CCCC1(C)C2CC3CC(C2)CC1(O)C3
InChIInChI=1S/C14H24O.C3H4O2/c1-3-4-13(2)12-6-10-5-11(7-12)9-14(13,15)8-10;1-2-3(4)5/h10-12,15H,3-9H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyCBMIRPJHIQJOMM-UHFFFAOYSA-N
XLogP3.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid?
The IUPAC name of 2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid (CID 175218552) is 2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid.
What is the SMILES notation for 2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid?
The canonical SMILES for 2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid is C=CC(=O)O.CCCC1(C)C2CC3CC(C2)CC1(O)C3.
What is the InChIKey of 2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid?
The InChIKey is CBMIRPJHIQJOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O.C3H4O2/c1-3-4-13(2)12-6-10-5-11(7-12)9-14(13,15)8-10;1-2-3(4)5/h10-12,15H,3-9H2,1-2H3;2H,1H2,(H,4,5).
What are the key properties of 2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid?
2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid has a molecular weight of 280.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid is sourced from PubChem (CID 175218552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).