butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium

C14H24O2P+ — CID 177406024

IUPACbutoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium
SMILESCCCCO[P+](=O)CC1=CCC2CC1C2(C)C
InChIInChI=1S/C14H24O2P/c1-4-5-8-16-17(15)10-11-6-7-12-9-13(11)14(12,2)3/h6,12-13H,4-5,7-10H2,1-3H3/q+1
InChIKeyQCPMFCMBCOBEMK-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.54
Rot. Bonds6

About butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium

butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium (PubChem CID 177406024) has the molecular formula C14H24O2P+ and a molecular weight of 255.32 g/mol. Its IUPAC name is butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium.

Molecular Properties

Compound Namebutoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium
PubChem CID177406024
Molecular FormulaC14H24O2P+
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Namebutoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium
SMILESCCCCO[P+](=O)CC1=CCC2CC1C2(C)C
InChIInChI=1S/C14H24O2P/c1-4-5-8-16-17(15)10-11-6-7-12-9-13(11)14(12,2)3/h6,12-13H,4-5,7-10H2,1-3H3/q+1
InChIKeyQCPMFCMBCOBEMK-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium 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 butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium?
The IUPAC name of butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium (CID 177406024) is butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium.
What is the SMILES notation for butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium?
The canonical SMILES for butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium is CCCCO[P+](=O)CC1=CCC2CC1C2(C)C.
What is the InChIKey of butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium?
The InChIKey is QCPMFCMBCOBEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2P/c1-4-5-8-16-17(15)10-11-6-7-12-9-13(11)14(12,2)3/h6,12-13H,4-5,7-10H2,1-3H3/q+1.
What are the key properties of butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium?
butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium has a molecular weight of 255.32 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-oxophosphanium is sourced from PubChem (CID 177406024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).