cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate

C15H24O2 — CID 178021701

IUPACcis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate
SMILESC=C1CC[C@@H](C(=O)OC)[C@H](C2CCCCC2)C1
InChIInChI=1S/C15H24O2/c1-11-8-9-13(15(16)17-2)14(10-11)12-6-4-3-5-7-12/h12-14H,1,3-10H2,2H3/t13-,14+/m1/s1
InChIKeyFLOWLRQZDKOMQH-KGLIPLIRSA-N
MW236.35 g/mol
LogP3.71
Rot. Bonds2

About cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate

cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate (PubChem CID 178021701) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate
PubChem CID178021701
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namecis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate
SMILESC=C1CC[C@@H](C(=O)OC)[C@H](C2CCCCC2)C1
InChIInChI=1S/C15H24O2/c1-11-8-9-13(15(16)17-2)14(10-11)12-6-4-3-5-7-12/h12-14H,1,3-10H2,2H3/t13-,14+/m1/s1
InChIKeyFLOWLRQZDKOMQH-KGLIPLIRSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
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CID 21443736
methyl 4-cyclohexylpyrrolidine-3-carboxylate
CID 114486447
carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate
CID 70064692
methyl 3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-1-carboxylate
CID 121006982
trans-dimethyl (1S,2S)-3-methylidenecyclopentane-1,2-dicarboxylate
CID 22214590
methyl (1S,2S,4aS,8aR)-1-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate
CID 124921340
methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate
CID 565539
cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride
CID 45262154
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 14350171
methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate
CID 143331432
cis-methyl (1R,2S)-2-methyl-4-oxocyclohexane-1-carboxylate
CID 12561750

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate (CID 178021701) is cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate is C=C1CC[C@@H](C(=O)OC)[C@H](C2CCCCC2)C1.
What is the InChIKey of cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate?
The InChIKey is FLOWLRQZDKOMQH-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-8-9-13(15(16)17-2)14(10-11)12-6-4-3-5-7-12/h12-14H,1,3-10H2,2H3/t13-,14+/m1/s1.
What are the key properties of cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate?
cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate has a molecular weight of 236.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate is sourced from PubChem (CID 178021701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).