[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate

C11H19ClO2 — CID 13308514

IUPAC[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Cl
InChIInChI=1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
InChIKeyKIUPCUCGVCGPPA-OPRDCNLKSA-N
MW218.72 g/mol
LogP3.82
Rot. Bonds2

About [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate

[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate (PubChem CID 13308514) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate.

Molecular Properties

Compound Name[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
PubChem CID13308514
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Name[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Cl
InChIInChI=1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
InChIKeyKIUPCUCGVCGPPA-OPRDCNLKSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-methyl-1-propan-2-ylcyclohexane;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 157349936
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
methane;(5-methyl-2-propan-2-ylcyclohexyl) acetate
CID 157342153
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
cis-2-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-O-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2S)-cyclopropane-1,2-dicarboxylate
CID 129460596
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-3-oxobutanoate
CID 156702086
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
bis[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] but-2-ynedioate
CID 11868487
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
CID 51407482
1-O-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,3S)-2,3-dihydroxybutanedioate
CID 11887456

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate?
The IUPAC name of [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate (CID 13308514) is [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate.
What is the SMILES notation for [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate?
The canonical SMILES for [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate is CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Cl.
What is the InChIKey of [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate?
The InChIKey is KIUPCUCGVCGPPA-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9-,10-/m1/s1.
What are the key properties of [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate?
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate has a molecular weight of 218.72 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate is sourced from PubChem (CID 13308514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).