2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane

C20H43O2P — CID 158926281

IUPAC2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane
SMILESC=C(CCC(C)C)CC(C)C.CC(C)COP(C)(=O)CC(C)C
InChIInChI=1S/C11H22.C9H21O2P/c1-9(2)6-7-11(5)8-10(3)4;1-8(2)6-11-12(5,10)7-9(3)4/h9-10H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3
InChIKeyJIMFWEUYJJIJLT-UHFFFAOYSA-N
MW346.54 g/mol
LogP7.25
Rot. Bonds10

About 2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane

2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane (PubChem CID 158926281) has the molecular formula C20H43O2P and a molecular weight of 346.54 g/mol. Its IUPAC name is 2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane
PubChem CID158926281
Molecular FormulaC20H43O2P
Molecular Weight346.54 g/mol
Exact Mass346.30
IUPAC Name2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane
SMILESC=C(CCC(C)C)CC(C)C.CC(C)COP(C)(=O)CC(C)C
InChIInChI=1S/C11H22.C9H21O2P/c1-9(2)6-7-11(5)8-10(3)4;1-8(2)6-11-12(5,10)7-9(3)4/h9-10H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3
InChIKeyJIMFWEUYJJIJLT-UHFFFAOYSA-N
XLogP7.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.54
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(diethoxyphosphorylmethylidene)-2,2-dimethylheptane
CID 10588496
(E)-1-dibutoxyphosphoryl-2-methyldec-1-ene
CID 101255953
(1E)-1-(diethoxyphosphorylmethylidene)-2-pentylcyclohexane
CID 134877861
(E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene
CID 134895023
(E)-1-diethoxyphosphoryl-3-methyloct-1-ene
CID 134895029
9-(Dibutoxyphosphorylmethylidene)heptadecane
CID 134934627
(Z)-1-diethoxyphosphoryl-4-methyltetradec-2-ene
CID 134982133
(E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene
CID 134983431
(3E)-3-[di(propan-2-yloxy)phosphorylmethylidene]nonadecane
CID 23336033
3-[Di(propan-2-yloxy)phosphorylmethylidene]nonadecane
CID 53952205
(E)-1-diethoxyphosphoryl-3,7,11,15-tetramethylhexadec-2-ene
CID 57689368
1-Diethoxyphosphoryl-3,7,11,15-tetramethylhexadec-2-ene
CID 76593813

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane?
The IUPAC name of 2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane (CID 158926281) is 2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane.
What is the SMILES notation for 2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane?
The canonical SMILES for 2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane is C=C(CCC(C)C)CC(C)C.CC(C)COP(C)(=O)CC(C)C.
What is the InChIKey of 2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane?
The InChIKey is JIMFWEUYJJIJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C9H21O2P/c1-9(2)6-7-11(5)8-10(3)4;1-8(2)6-11-12(5,10)7-9(3)4/h9-10H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3.
What are the key properties of 2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane?
2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane has a molecular weight of 346.54 g/mol, XLogP of 7.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4-methylideneoctane;2-methyl-1-[methyl(2-methylpropyl)phosphoryl]oxypropane is sourced from PubChem (CID 158926281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).