2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol

C12H20O2 — CID 13419272

IUPAC2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol
SMILESC=CCC1CCC2CCCCC2(O)O1
InChIInChI=1S/C12H20O2/c1-2-5-11-8-7-10-6-3-4-9-12(10,13)14-11/h2,10-11,13H,1,3-9H2
InChIKeyMEGMCYNCCLCWAA-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.62
Rot. Bonds2

About 2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol

2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol (PubChem CID 13419272) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol.

Molecular Properties

Compound Name2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol
PubChem CID13419272
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol
SMILESC=CCC1CCC2CCCCC2(O)O1
InChIInChI=1S/C12H20O2/c1-2-5-11-8-7-10-6-3-4-9-12(10,13)14-11/h2,10-11,13H,1,3-9H2
InChIKeyMEGMCYNCCLCWAA-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol?
The IUPAC name of 2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol (CID 13419272) is 2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol.
What is the SMILES notation for 2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol?
The canonical SMILES for 2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol is C=CCC1CCC2CCCCC2(O)O1.
What is the InChIKey of 2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol?
The InChIKey is MEGMCYNCCLCWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-5-11-8-7-10-6-3-4-9-12(10,13)14-11/h2,10-11,13H,1,3-9H2.
What are the key properties of 2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol?
2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol has a molecular weight of 196.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol is sourced from PubChem (CID 13419272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).