[(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate

C15H26O3 — CID 10858029

IUPAC[(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate
SMILESC=CC1(OC(=O)OCC)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H26O3/c1-6-15(18-14(16)17-7-2)10-12(5)8-9-13(15)11(3)4/h6,11-13H,1,7-10H2,2-5H3/t12-,13+,15?/m1/s1
InChIKeyNISGAQGXLPBSQI-NEJHNUGDSA-N
MW254.37 g/mol
LogP4.18
Rot. Bonds4

About [(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate

[(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate (PubChem CID 10858029) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is [(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate.

Molecular Properties

Compound Name[(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate
PubChem CID10858029
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name[(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate
SMILESC=CC1(OC(=O)OCC)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H26O3/c1-6-15(18-14(16)17-7-2)10-12(5)8-9-13(15)11(3)4/h6,11-13H,1,7-10H2,2-5H3/t12-,13+,15?/m1/s1
InChIKeyNISGAQGXLPBSQI-NEJHNUGDSA-N
XLogP4.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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 [(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl 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

methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate
CID 11821149
[2,5-dimethyl-1-[(E)-prop-1-enyl]cyclohexyl] methyl carbonate
CID 134854617
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate
CID 11085895
(5-Methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate
CID 20552001
2-Methylbut-3-en-2-yl (3-methyl-3-propan-2-ylcyclohexyl) carbonate
CID 21484555
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate
CID 54111997
2-Methylbut-3-en-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
CID 70582456
(2-Ethenyl-2-adamantyl) methyl carbonate
CID 156522537
(2-Ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate
CID 156522729
(1-Ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate
CID 162745510
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

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate?
The IUPAC name of [(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate (CID 10858029) is [(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate.
What is the SMILES notation for [(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate?
The canonical SMILES for [(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate is C=CC1(OC(=O)OCC)C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of [(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate?
The InChIKey is NISGAQGXLPBSQI-NEJHNUGDSA-N. The full InChI is InChI=1S/C15H26O3/c1-6-15(18-14(16)17-7-2)10-12(5)8-9-13(15)11(3)4/h6,11-13H,1,7-10H2,2-5H3/t12-,13+,15?/m1/s1.
What are the key properties of [(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate?
[(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate has a molecular weight of 254.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl] ethyl carbonate is sourced from PubChem (CID 10858029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).