methyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate

C16H26O3 — CID 11242579

IUPACmethyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate
SMILESC=C(C)[C@@H]1CC=C(C)[C@H](OC)[C@H]1C(C)(C)C(=O)OC
InChIInChI=1S/C16H26O3/c1-10(2)12-9-8-11(3)14(18-6)13(12)16(4,5)15(17)19-7/h8,12-14H,1,9H2,2-7H3/t12-,13-,14-/m0/s1
InChIKeyZQCPFDWPJFWQCN-IHRRRGAJSA-N
MW266.38 g/mol
LogP3.36
Rot. Bonds4

About methyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate

methyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate (PubChem CID 11242579) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is methyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate
PubChem CID11242579
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Namemethyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate
SMILESC=C(C)[C@@H]1CC=C(C)[C@H](OC)[C@H]1C(C)(C)C(=O)OC
InChIInChI=1S/C16H26O3/c1-10(2)12-9-8-11(3)14(18-6)13(12)16(4,5)15(17)19-7/h8,12-14H,1,9H2,2-7H3/t12-,13-,14-/m0/s1
InChIKeyZQCPFDWPJFWQCN-IHRRRGAJSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate (CID 11242579) is methyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate is C=C(C)[C@@H]1CC=C(C)[C@H](OC)[C@H]1C(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate?
The InChIKey is ZQCPFDWPJFWQCN-IHRRRGAJSA-N. The full InChI is InChI=1S/C16H26O3/c1-10(2)12-9-8-11(3)14(18-6)13(12)16(4,5)15(17)19-7/h8,12-14H,1,9H2,2-7H3/t12-,13-,14-/m0/s1.
What are the key properties of methyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate?
methyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate has a molecular weight of 266.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanoate is sourced from PubChem (CID 11242579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).