1-di(propan-2-yl)phosphoryl-5-methylnonane

C16H35OP — CID 155352160

IUPAC1-di(propan-2-yl)phosphoryl-5-methylnonane
SMILESCCCCC(C)CCCCP(=O)(C(C)C)C(C)C
InChIInChI=1S/C16H35OP/c1-7-8-11-16(6)12-9-10-13-18(17,14(2)3)15(4)5/h14-16H,7-13H2,1-6H3
InChIKeyLZDGMQOHZUDTON-UHFFFAOYSA-N
MW274.43 g/mol
LogP6.16
Rot. Bonds10

About 1-di(propan-2-yl)phosphoryl-5-methylnonane

1-di(propan-2-yl)phosphoryl-5-methylnonane (PubChem CID 155352160) has the molecular formula C16H35OP and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-di(propan-2-yl)phosphoryl-5-methylnonane.

Molecular Properties

Compound Name1-di(propan-2-yl)phosphoryl-5-methylnonane
PubChem CID155352160
Molecular FormulaC16H35OP
Molecular Weight274.43 g/mol
Exact Mass274.24
IUPAC Name1-di(propan-2-yl)phosphoryl-5-methylnonane
SMILESCCCCC(C)CCCCP(=O)(C(C)C)C(C)C
InChIInChI=1S/C16H35OP/c1-7-8-11-16(6)12-9-10-13-18(17,14(2)3)15(4)5/h14-16H,7-13H2,1-6H3
InChIKeyLZDGMQOHZUDTON-UHFFFAOYSA-N
XLogP6.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.43
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-di(propan-2-yl)phosphorylhexane
CID 118005935
1-di(propan-2-yl)phosphoryloctane;phosphane;hydrate
CID 163644954
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,17-dimethylnonacosane
CID 56936184
5,13,19-trimethylheptatriacontane
CID 172565409
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,15-dimethylpentatriacontane
CID 6430641
5,23-dimethyltritriacontane
CID 71339926
5,9,17-trimethylhenicosane
CID 123913465
4,13-dimethylheptadecane
CID 6430494

Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yl)phosphoryl-5-methylnonane?
The IUPAC name of 1-di(propan-2-yl)phosphoryl-5-methylnonane (CID 155352160) is 1-di(propan-2-yl)phosphoryl-5-methylnonane.
What is the SMILES notation for 1-di(propan-2-yl)phosphoryl-5-methylnonane?
The canonical SMILES for 1-di(propan-2-yl)phosphoryl-5-methylnonane is CCCCC(C)CCCCP(=O)(C(C)C)C(C)C.
What is the InChIKey of 1-di(propan-2-yl)phosphoryl-5-methylnonane?
The InChIKey is LZDGMQOHZUDTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35OP/c1-7-8-11-16(6)12-9-10-13-18(17,14(2)3)15(4)5/h14-16H,7-13H2,1-6H3.
What are the key properties of 1-di(propan-2-yl)phosphoryl-5-methylnonane?
1-di(propan-2-yl)phosphoryl-5-methylnonane has a molecular weight of 274.43 g/mol, XLogP of 6.16, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yl)phosphoryl-5-methylnonane is sourced from PubChem (CID 155352160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).