(E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium

C10H15O2P — CID 175113362

IUPAC(E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium
SMILESCCCCO/[P+]([O-])=C1/C=CC=CC1
InChIInChI=1S/C10H15O2P/c1-2-3-9-12-13(11)10-7-5-4-6-8-10/h4-7H,2-3,8-9H2,1H3
InChIKeyVTRNFKAJNYUENC-UHFFFAOYSA-N
MW198.20 g/mol
LogP2.16
Rot. Bonds4

About (E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium

(E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium (PubChem CID 175113362) has the molecular formula C10H15O2P and a molecular weight of 198.20 g/mol. Its IUPAC name is (E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium.

Molecular Properties

Compound Name(E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium
PubChem CID175113362
Molecular FormulaC10H15O2P
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name(E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium
SMILESCCCCO/[P+]([O-])=C1/C=CC=CC1
InChIInChI=1S/C10H15O2P/c1-2-3-9-12-13(11)10-7-5-4-6-8-10/h4-7H,2-3,8-9H2,1H3
InChIKeyVTRNFKAJNYUENC-UHFFFAOYSA-N
XLogP2.16
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium?
The IUPAC name of (E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium (CID 175113362) is (E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium.
What is the SMILES notation for (E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium?
The canonical SMILES for (E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium is CCCCO/[P+]([O-])=C1/C=CC=CC1.
What is the InChIKey of (E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium?
The InChIKey is VTRNFKAJNYUENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O2P/c1-2-3-9-12-13(11)10-7-5-4-6-8-10/h4-7H,2-3,8-9H2,1H3.
What are the key properties of (E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium?
(E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium has a molecular weight of 198.20 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium is sourced from PubChem (CID 175113362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).