methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate

C15H26O3 — CID 11821149

IUPACmethyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate
SMILESC/C=C/[C@]1(OC(=O)OC)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H26O3/c1-6-9-15(18-14(16)17-5)10-12(4)7-8-13(15)11(2)3/h6,9,11-13H,7-8,10H2,1-5H3/b9-6+/t12-,13+,15+/m1/s1
InChIKeyRJXIZWNOCIXIEV-ITYKKCRKSA-N
MW254.37 g/mol
LogP4.18
Rot. Bonds3

About methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate

methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate (PubChem CID 11821149) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate.

Molecular Properties

Compound Namemethyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate
PubChem CID11821149
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Namemethyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate
SMILESC/C=C/[C@]1(OC(=O)OC)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H26O3/c1-6-9-15(18-14(16)17-5)10-12(4)7-8-13(15)11(2)3/h6,9,11-13H,7-8,10H2,1-5H3/b9-6+/t12-,13+,15+/m1/s1
InChIKeyRJXIZWNOCIXIEV-ITYKKCRKSA-N
XLogP4.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate 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

(4S,5R,8S,14R)-5-methyl-8-propan-2-yl-9,11-dioxatricyclo[6.4.2.04,14]tetradec-1(13)-en-10-one
CID 162982824
[2,5-dimethyl-1-[(E)-prop-1-enyl]cyclohexyl] methyl carbonate
CID 134854617
[3,7-Dimethyl-4-(5-methyl-2-propan-2-ylcyclohexyl)octa-1,6-dien-3-yl] hydrogen carbonate
CID 53788905
5,6-Diethyl-1-methoxybicyclo[2.2.2]oct-2-ene
CID 59942166
1-Methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
CID 141081833
3,7-dimethylocta-1,6-dien-3-yl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
CID 174785733
methyl [(1R,2S,5R)-5-methyl-1-[(E)-3-methylbut-1-enyl]-2-propan-2-ylcyclohexyl] carbonate
CID 10636655
[(1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexyl] methyl carbonate
CID 10762625
[(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate
CID 10858029
methyl [(1S,2R,5S)-5-methyl-1-[(E)-3-methylbut-1-enyl]-2-propan-2-ylcyclohexyl] carbonate
CID 11000513
methyl [(1S,2R,5S)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate
CID 11054218
[(1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexyl] methyl carbonate
CID 15359435

Frequently Asked Questions

What is the IUPAC name of methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate?
The IUPAC name of methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate (CID 11821149) is methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate.
What is the SMILES notation for methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate?
The canonical SMILES for methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate is C/C=C/[C@]1(OC(=O)OC)C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate?
The InChIKey is RJXIZWNOCIXIEV-ITYKKCRKSA-N. The full InChI is InChI=1S/C15H26O3/c1-6-9-15(18-14(16)17-5)10-12(4)7-8-13(15)11(2)3/h6,9,11-13H,7-8,10H2,1-5H3/b9-6+/t12-,13+,15+/m1/s1.
What are the key properties of methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate?
methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate has a molecular weight of 254.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate is sourced from PubChem (CID 11821149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).