5-prop-2-enylnonan-2-ol

C12H24O — CID 91603961

IUPAC5-prop-2-enylnonan-2-ol
SMILESC=CCC(CCCC)CCC(C)O
InChIInChI=1S/C12H24O/c1-4-6-8-12(7-5-2)10-9-11(3)13/h5,11-13H,2,4,6-10H2,1,3H3
InChIKeyMTHOIHNGRQETJP-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds8

About 5-prop-2-enylnonan-2-ol

5-prop-2-enylnonan-2-ol (PubChem CID 91603961) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 5-prop-2-enylnonan-2-ol.

Molecular Properties

Compound Name5-prop-2-enylnonan-2-ol
PubChem CID91603961
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name5-prop-2-enylnonan-2-ol
SMILESC=CCC(CCCC)CCC(C)O
InChIInChI=1S/C12H24O/c1-4-6-8-12(7-5-2)10-9-11(3)13/h5,11-13H,2,4,6-10H2,1,3H3
InChIKeyMTHOIHNGRQETJP-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-prop-2-enylnonan-2-ol 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 5-prop-2-enylnonan-2-ol?
The IUPAC name of 5-prop-2-enylnonan-2-ol (CID 91603961) is 5-prop-2-enylnonan-2-ol.
What is the SMILES notation for 5-prop-2-enylnonan-2-ol?
The canonical SMILES for 5-prop-2-enylnonan-2-ol is C=CCC(CCCC)CCC(C)O.
What is the InChIKey of 5-prop-2-enylnonan-2-ol?
The InChIKey is MTHOIHNGRQETJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-6-8-12(7-5-2)10-9-11(3)13/h5,11-13H,2,4,6-10H2,1,3H3.
What are the key properties of 5-prop-2-enylnonan-2-ol?
5-prop-2-enylnonan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enylnonan-2-ol is sourced from PubChem (CID 91603961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).