CID 162331984

C17H29KO4P — CID 162331984

IUPAC—
SMILESCCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(O)O.[K]
InChIInChI=1S/C17H29O4P.K/c1-8-14(22(19,20)21)11-9-12(16(2,3)4)15(18)13(10-11)17(5,6)7;/h9-10,14,18H,8H2,1-7H3,(H2,19,20,21);
InChIKeyRTGGLBJPEGLANN-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.24
Rot. Bonds3

About CID 162331984

CID 162331984 (PubChem CID 162331984) has the molecular formula C17H29KO4P and a molecular weight of 367.49 g/mol.

Molecular Properties

Compound NameCID 162331984
PubChem CID162331984
Molecular FormulaC17H29KO4P
Molecular Weight367.49 g/mol
Exact Mass367.14
IUPAC Name—
SMILESCCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(O)O.[K]
InChIInChI=1S/C17H29O4P.K/c1-8-14(22(19,20)21)11-9-12(16(2,3)4)15(18)13(10-11)17(5,6)7;/h9-10,14,18H,8H2,1-7H3,(H2,19,20,21);
InChIKeyRTGGLBJPEGLANN-UHFFFAOYSA-N
XLogP4.24
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197802
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
calcium;(3,5-ditert-butyl-4-hydroxyphenyl)methylphosphonic acid;hydride
CID 173169502
4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol
CID 144959528
CID 87364656
CID 87364656
2,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-4-ethylheptane-3,5-dione
CID 175451687
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
1-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl-triacontoxyphosphinic acid
CID 56608011
(3,5-ditert-butyl-4-hydroxyphenyl)methoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinic acid
CID 149251641
CID 87899271
CID 87899271
2-[2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)acetyl]oxyethyl 2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 87082508
potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride
CID 173169408

Frequently Asked Questions

What is the IUPAC name of CID 162331984?
The IUPAC name of CID 162331984 (CID 162331984) is not available.
What is the SMILES notation for CID 162331984?
The canonical SMILES for CID 162331984 is CCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(O)O.[K].
What is the InChIKey of CID 162331984?
The InChIKey is RTGGLBJPEGLANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29O4P.K/c1-8-14(22(19,20)21)11-9-12(16(2,3)4)15(18)13(10-11)17(5,6)7;/h9-10,14,18H,8H2,1-7H3,(H2,19,20,21);.
What are the key properties of CID 162331984?
CID 162331984 has a molecular weight of 367.49 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162331984 is sourced from PubChem (CID 162331984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).