ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine

C18H25OP — CID 159397412

IUPACethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine
SMILESC=P1(C)Oc2ccccc2-c2ccccc21.CC.CC
InChIInChI=1S/C14H13OP.2C2H6/c1-16(2)14-10-6-4-8-12(14)11-7-3-5-9-13(11)15-16;2*1-2/h3-10H,1H2,2H3;2*1-2H3
InChIKeyLMXGCBSXLBQDQT-UHFFFAOYSA-N
MW288.37 g/mol
LogP5.42
Rot. Bonds

About ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine

ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine (PubChem CID 159397412) has the molecular formula C18H25OP and a molecular weight of 288.37 g/mol. Its IUPAC name is ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine.

Molecular Properties

Compound Nameethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine
PubChem CID159397412
Molecular FormulaC18H25OP
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Nameethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine
SMILESC=P1(C)Oc2ccccc2-c2ccccc21.CC.CC
InChIInChI=1S/C14H13OP.2C2H6/c1-16(2)14-10-6-4-8-12(14)11-7-3-5-9-13(11)15-16;2*1-2/h3-10H,1H2,2H3;2*1-2H3
InChIKeyLMXGCBSXLBQDQT-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.37
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine
CID 170372495
6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
CID 158354295
6-methylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 90446218
(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium
CID 163915272
4-[bis(4-aminophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]aniline;ethane
CID 162139572
sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane
CID 88764491
6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 155351564
methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane
CID 123154087
N,N-bis[2-[bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]amino]ethyl]-N',N'-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]ethane-1,2-diamine
CID 164746026
6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 174185485
6-butan-2-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 71018079
ethane;2-[1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenol
CID 159602454

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine?
The IUPAC name of ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine (CID 159397412) is ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine.
What is the SMILES notation for ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine?
The canonical SMILES for ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine is C=P1(C)Oc2ccccc2-c2ccccc21.CC.CC.
What is the InChIKey of ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine?
The InChIKey is LMXGCBSXLBQDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13OP.2C2H6/c1-16(2)14-10-6-4-8-12(14)11-7-3-5-9-13(11)15-16;2*1-2/h3-10H,1H2,2H3;2*1-2H3.
What are the key properties of ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine?
ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine has a molecular weight of 288.37 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine is sourced from PubChem (CID 159397412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).