gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane

C13H20AuO+ — CID 137279623

IUPACgold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane
SMILES[Au+].[H]/[C-]=C(\C[C@@H]1CCCCC1=C[CH+]C)OC
InChIInChI=1S/C13H20O.Au/c1-4-7-12-8-5-6-9-13(12)10-11(2)14-3;/h2,4,7,13H,5-6,8-10H2,1,3H3;/q;+1/t13-;/m0./s1
InChIKeyTXOIRFSPEWIYKQ-ZOWNYOTGSA-N
MW389.27 g/mol
LogP3.68
Rot. Bonds4

About gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane

gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane (PubChem CID 137279623) has the molecular formula C13H20AuO+ and a molecular weight of 389.27 g/mol. Its IUPAC name is gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane.

Molecular Properties

Compound Namegold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane
PubChem CID137279623
Molecular FormulaC13H20AuO+
Molecular Weight389.27 g/mol
Exact Mass389.12
IUPAC Namegold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane
SMILES[Au+].[H]/[C-]=C(\C[C@@H]1CCCCC1=C[CH+]C)OC
InChIInChI=1S/C13H20O.Au/c1-4-7-12-8-5-6-9-13(12)10-11(2)14-3;/h2,4,7,13H,5-6,8-10H2,1,3H3;/q;+1/t13-;/m0./s1
InChIKeyTXOIRFSPEWIYKQ-ZOWNYOTGSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane 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 gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane?
The IUPAC name of gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane (CID 137279623) is gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane.
What is the SMILES notation for gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane?
The canonical SMILES for gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane is [Au+].[H]/[C-]=C(\C[C@@H]1CCCCC1=C[CH+]C)OC.
What is the InChIKey of gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane?
The InChIKey is TXOIRFSPEWIYKQ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H20O.Au/c1-4-7-12-8-5-6-9-13(12)10-11(2)14-3;/h2,4,7,13H,5-6,8-10H2,1,3H3;/q;+1/t13-;/m0./s1.
What are the key properties of gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane?
gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane has a molecular weight of 389.27 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane is sourced from PubChem (CID 137279623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).