(1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate

C16H31O2P — CID 166970108

IUPAC(1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate
SMILESCPC(C)(CC(C)(C)C)C(=O)OC1(C)CCCCC1
InChIInChI=1S/C16H31O2P/c1-14(2,3)12-16(5,19-6)13(17)18-15(4)10-8-7-9-11-15/h19H,7-12H2,1-6H3
InChIKeyHJXIODAPZCWWDO-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.76
Rot. Bonds4

About (1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate

(1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate (PubChem CID 166970108) has the molecular formula C16H31O2P and a molecular weight of 286.40 g/mol. Its IUPAC name is (1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate.

Molecular Properties

Compound Name(1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate
PubChem CID166970108
Molecular FormulaC16H31O2P
Molecular Weight286.40 g/mol
Exact Mass286.21
IUPAC Name(1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate
SMILESCPC(C)(CC(C)(C)C)C(=O)OC1(C)CCCCC1
InChIInChI=1S/C16H31O2P/c1-14(2,3)12-16(5,19-6)13(17)18-15(4)10-8-7-9-11-15/h19H,7-12H2,1-6H3
InChIKeyHJXIODAPZCWWDO-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(1-methylcyclopentyl) 2,2,4,4-tetramethylpentanoate
CID 144560123
(1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate
CID 144560389
[3-(1-methylcyclohexyl)oxy-3-oxopropyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 70888829
(1-methylcyclohexyl) 2,3,3-trimethyl-2-(trifluoromethyl)butanoate
CID 154539206
(1-methylcyclohexyl) 2-methyl-2-(sulfanylmethyl)butanoate
CID 174355146
(1-methylcyclopentyl) 2,2,4-trimethylpentanoate
CID 148692117
tris(1-methylcyclohexyl) 2-hydroxypropane-1,2,3-tricarboxylate
CID 154107750
bis(1-methylcyclohexyl) oxalate
CID 154101354
(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate
CID 59602243
(1-ethylcycloheptyl) 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate
CID 162117868
(1-methylcyclohexyl) acetate;propane
CID 143035856
(4-methyl-1,1-dioxothian-4-yl) 2,2-dimethylbutanoate
CID 165070592

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate?
The IUPAC name of (1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate (CID 166970108) is (1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate.
What is the SMILES notation for (1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate?
The canonical SMILES for (1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate is CPC(C)(CC(C)(C)C)C(=O)OC1(C)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate?
The InChIKey is HJXIODAPZCWWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31O2P/c1-14(2,3)12-16(5,19-6)13(17)18-15(4)10-8-7-9-11-15/h19H,7-12H2,1-6H3.
What are the key properties of (1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate?
(1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate has a molecular weight of 286.40 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate is sourced from PubChem (CID 166970108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).