5-prop-1-enyladamantane-1,3-diol

C13H20O2 — CID 141223599

IUPAC5-prop-1-enyladamantane-1,3-diol
SMILESCC=CC12CC3CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C13H20O2/c1-2-3-11-4-10-5-12(14,7-11)9-13(15,6-10)8-11/h2-3,10,14-15H,4-9H2,1H3
InChIKeyDKOPBSNDLWLXAE-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.01
Rot. Bonds1

About 5-prop-1-enyladamantane-1,3-diol

5-prop-1-enyladamantane-1,3-diol (PubChem CID 141223599) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-prop-1-enyladamantane-1,3-diol.

Molecular Properties

Compound Name5-prop-1-enyladamantane-1,3-diol
PubChem CID141223599
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5-prop-1-enyladamantane-1,3-diol
SMILESCC=CC12CC3CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C13H20O2/c1-2-3-11-4-10-5-12(14,7-11)9-13(15,6-10)8-11/h2-3,10,14-15H,4-9H2,1H3
InChIKeyDKOPBSNDLWLXAE-UHFFFAOYSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-prop-1-enyladamantane-1,3-diol 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

(1R,3S)-5-methyladamantane-1,3-diol
CID 55250245
5-(dimethylamino)adamantane-1,3-diol
CID 22463603
1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane
CID 173113583
5-(diethylamino)adamantane-1,3-diol
CID 22463517
3,4,5-trimethyladamantane-1,4-diol
CID 139814591
1-ethyl-3-[(E)-prop-1-enyl]adamantane
CID 5374456
3-(2-carboxyprop-1-enyl)-5-hydroxyadamantane-1-carboxylic acid
CID 68786296
5-(1-adamantyl)adamantane-1,3-diol
CID 68810995
5-ethoxyadamantane-1,3-diol
CID 71086173
1-[(Z)-prop-1-enyl]-3-propyladamantane
CID 21160735
acetaldehyde;adamantan-1-ol
CID 175101814
(2S)-2-amino-2-[(3S)-3,5-dihydroxy-1-adamantyl]acetic acid
CID 70881719

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-enyladamantane-1,3-diol?
The IUPAC name of 5-prop-1-enyladamantane-1,3-diol (CID 141223599) is 5-prop-1-enyladamantane-1,3-diol.
What is the SMILES notation for 5-prop-1-enyladamantane-1,3-diol?
The canonical SMILES for 5-prop-1-enyladamantane-1,3-diol is CC=CC12CC3CC(O)(CC(O)(C3)C1)C2.
What is the InChIKey of 5-prop-1-enyladamantane-1,3-diol?
The InChIKey is DKOPBSNDLWLXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-3-11-4-10-5-12(14,7-11)9-13(15,6-10)8-11/h2-3,10,14-15H,4-9H2,1H3.
What are the key properties of 5-prop-1-enyladamantane-1,3-diol?
5-prop-1-enyladamantane-1,3-diol has a molecular weight of 208.30 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-enyladamantane-1,3-diol is sourced from PubChem (CID 141223599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).