10-phenyldodecyl dihydrogen phosphite

C18H31O3P — CID 154182802

IUPAC10-phenyldodecyl dihydrogen phosphite
SMILESCCC(CCCCCCCCCOP(O)O)c1ccccc1
InChIInChI=1S/C18H31O3P/c1-2-17(18-14-10-8-11-15-18)13-9-6-4-3-5-7-12-16-21-22(19)20/h8,10-11,14-15,17,19-20H,2-7,9,12-13,16H2,1H3
InChIKeySYYQAXYDWSGCSF-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.53
Rot. Bonds13

About 10-phenyldodecyl dihydrogen phosphite

10-phenyldodecyl dihydrogen phosphite (PubChem CID 154182802) has the molecular formula C18H31O3P and a molecular weight of 326.42 g/mol. Its IUPAC name is 10-phenyldodecyl dihydrogen phosphite.

Molecular Properties

Compound Name10-phenyldodecyl dihydrogen phosphite
PubChem CID154182802
Molecular FormulaC18H31O3P
Molecular Weight326.42 g/mol
Exact Mass326.20
IUPAC Name10-phenyldodecyl dihydrogen phosphite
SMILESCCC(CCCCCCCCCOP(O)O)c1ccccc1
InChIInChI=1S/C18H31O3P/c1-2-17(18-14-10-8-11-15-18)13-9-6-4-3-5-7-12-16-21-22(19)20/h8,10-11,14-15,17,19-20H,2-7,9,12-13,16H2,1H3
InChIKeySYYQAXYDWSGCSF-UHFFFAOYSA-N
XLogP5.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

19,19-diphenylnonadecyl dihydrogen phosphite
CID 19792274
7-phenylnonyl hydrogen carbonate
CID 67180430
octan-3-ylbenzene
CID 519547
7-(2-methoxyethoxy)heptan-3-ylbenzene
CID 59850685
(1-ethyl-9-phenyldecyl)benzene
CID 154659486
6-ethyloctyl dihydrogen phosphite
CID 141350214
heptan-3-ylbenzene;methane
CID 159006232
barium(2+);bis(16-phenyloctadecanoate)
CID 101320100
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
7-phenyldodecyl hydrogen carbonate
CID 67181032
ethane;(1-ethyl-5-phenylhexyl)benzene
CID 154659485

Frequently Asked Questions

What is the IUPAC name of 10-phenyldodecyl dihydrogen phosphite?
The IUPAC name of 10-phenyldodecyl dihydrogen phosphite (CID 154182802) is 10-phenyldodecyl dihydrogen phosphite.
What is the SMILES notation for 10-phenyldodecyl dihydrogen phosphite?
The canonical SMILES for 10-phenyldodecyl dihydrogen phosphite is CCC(CCCCCCCCCOP(O)O)c1ccccc1.
What is the InChIKey of 10-phenyldodecyl dihydrogen phosphite?
The InChIKey is SYYQAXYDWSGCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31O3P/c1-2-17(18-14-10-8-11-15-18)13-9-6-4-3-5-7-12-16-21-22(19)20/h8,10-11,14-15,17,19-20H,2-7,9,12-13,16H2,1H3.
What are the key properties of 10-phenyldodecyl dihydrogen phosphite?
10-phenyldodecyl dihydrogen phosphite has a molecular weight of 326.42 g/mol, XLogP of 5.53, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyldodecyl dihydrogen phosphite is sourced from PubChem (CID 154182802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).