butane;naphthalen-2-ylphosphane

C14H19P — CID 174828877

IUPACbutane;naphthalen-2-ylphosphane
SMILESCCCC.Pc1ccc2ccccc2c1
InChIInChI=1S/C10H9P.C4H10/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-3-4-2/h1-7H,11H2;3-4H2,1-2H3
InChIKeyVCDVNPUVHNXKAP-UHFFFAOYSA-N
MW218.28 g/mol
LogP4.15
Rot. Bonds1

About butane;naphthalen-2-ylphosphane

butane;naphthalen-2-ylphosphane (PubChem CID 174828877) has the molecular formula C14H19P and a molecular weight of 218.28 g/mol. Its IUPAC name is butane;naphthalen-2-ylphosphane.

Molecular Properties

Compound Namebutane;naphthalen-2-ylphosphane
PubChem CID174828877
Molecular FormulaC14H19P
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Namebutane;naphthalen-2-ylphosphane
SMILESCCCC.Pc1ccc2ccccc2c1
InChIInChI=1S/C10H9P.C4H10/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-3-4-2/h1-7H,11H2;3-4H2,1-2H3
InChIKeyVCDVNPUVHNXKAP-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butane;ethane;naphthalene
CID 91347234
butane;ethane;naphthalene
CID 91209744
butane;ethane;naphthalene
CID 54028407
naphthalene-2-thiol;propan-1-amine
CID 162435108
2-ethoxynaphthalene
CID 118978197
butane;2-methylanthracene
CID 90696557
butane;ethane;methylsulfanylmethane;naphthalene
CID 91446490
ethyl-methyl-naphthalen-2-ylsulfanium
CID 58965275
ethane;2-ethylnaphthalene
CID 90684887
anthracene;ethane;naphthalene
CID 159079166
ethane;naphthalene;propane
CID 158972865
anthracene;naphthalene;phenanthrene
CID 158591187

Frequently Asked Questions

What is the IUPAC name of butane;naphthalen-2-ylphosphane?
The IUPAC name of butane;naphthalen-2-ylphosphane (CID 174828877) is butane;naphthalen-2-ylphosphane.
What is the SMILES notation for butane;naphthalen-2-ylphosphane?
The canonical SMILES for butane;naphthalen-2-ylphosphane is CCCC.Pc1ccc2ccccc2c1.
What is the InChIKey of butane;naphthalen-2-ylphosphane?
The InChIKey is VCDVNPUVHNXKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9P.C4H10/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-3-4-2/h1-7H,11H2;3-4H2,1-2H3.
What are the key properties of butane;naphthalen-2-ylphosphane?
butane;naphthalen-2-ylphosphane has a molecular weight of 218.28 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;naphthalen-2-ylphosphane is sourced from PubChem (CID 174828877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).