7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine

C14H19P — CID 154277815

IUPAC7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine
SMILESCP1CCC=CC=C1C1=CC=CCCC1
InChIInChI=1S/C14H19P/c1-15-12-8-4-7-11-14(15)13-9-5-2-3-6-10-13/h2,4-5,7,9,11H,3,6,8,10,12H2,1H3
InChIKeyCDXKVHVBGUKUBA-UHFFFAOYSA-N
MW218.28 g/mol
LogP4.61
Rot. Bonds1

About 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine

7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine (PubChem CID 154277815) has the molecular formula C14H19P and a molecular weight of 218.28 g/mol. Its IUPAC name is 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine.

Molecular Properties

Compound Name7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine
PubChem CID154277815
Molecular FormulaC14H19P
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine
SMILESCP1CCC=CC=C1C1=CC=CCCC1
InChIInChI=1S/C14H19P/c1-15-12-8-4-7-11-14(15)13-9-5-2-3-6-10-13/h2,4-5,7,9,11H,3,6,8,10,12H2,1H3
InChIKeyCDXKVHVBGUKUBA-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine?
The IUPAC name of 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine (CID 154277815) is 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine.
What is the SMILES notation for 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine?
The canonical SMILES for 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine is CP1CCC=CC=C1C1=CC=CCCC1.
What is the InChIKey of 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine?
The InChIKey is CDXKVHVBGUKUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19P/c1-15-12-8-4-7-11-14(15)13-9-5-2-3-6-10-13/h2,4-5,7,9,11H,3,6,8,10,12H2,1H3.
What are the key properties of 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine?
7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine has a molecular weight of 218.28 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine is sourced from PubChem (CID 154277815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).