(3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate

C11H19ClO2 — CID 20570511

IUPAC(3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate
SMILESCC(C)C1(C)CCCC(OC(=O)Cl)C1
InChIInChI=1S/C11H19ClO2/c1-8(2)11(3)6-4-5-9(7-11)14-10(12)13/h8-9H,4-7H2,1-3H3
InChIKeyVNNGEDHAWUZTFW-UHFFFAOYSA-N
MW218.72 g/mol
LogP3.97
Rot. Bonds2

About (3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate

(3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate (PubChem CID 20570511) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is (3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate.

Molecular Properties

Compound Name(3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate
PubChem CID20570511
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Name(3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate
SMILESCC(C)C1(C)CCCC(OC(=O)Cl)C1
InChIInChI=1S/C11H19ClO2/c1-8(2)11(3)6-4-5-9(7-11)14-10(12)13/h8-9H,4-7H2,1-3H3
InChIKeyVNNGEDHAWUZTFW-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.72
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate
CID 123414870
1-O-methyl 2-O-(3-methyl-3-propan-2-ylcyclohexyl) oxalate
CID 91504117
8-(3-methyl-3-propan-2-ylcyclohexyl)oxy-8-oxooctanoic acid
CID 90777342
(3-methyl-3-propan-2-ylcyclohexyl) 2-hydroxybenzoate
CID 54028398
sodium;hydride;(3-methyl-3-propan-2-ylcyclohexyl)oxycarbonyl hydroxymethanesulfonate
CID 173340615
[2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate
CID 91482253
2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetaldehyde
CID 57151132
trans-(1R,3S)-3-methyl-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 124680789
[(1S,3S)-3-methyl-3-propan-2-ylcyclohexyl] 3-[(2R)-4-oxoazetidin-2-yl]sulfanylprop-2-enoate
CID 54100350
(3-methyl-3-propan-2-ylcyclohexyl) 3-hydroxybutanoate;N,2,3-trimethyl-2-propan-2-ylbutanamide
CID 69120313
cyclooctyl carbonochloridate;ethane
CID 144532416
cyclohexyl carbonochloridate;methane
CID 157322505

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate?
The IUPAC name of (3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate (CID 20570511) is (3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate.
What is the SMILES notation for (3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate?
The canonical SMILES for (3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate is CC(C)C1(C)CCCC(OC(=O)Cl)C1.
What is the InChIKey of (3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate?
The InChIKey is VNNGEDHAWUZTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-8(2)11(3)6-4-5-9(7-11)14-10(12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of (3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate?
(3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate has a molecular weight of 218.72 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate is sourced from PubChem (CID 20570511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).