methyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate

C16H26O3 — CID 162921745

IUPACmethyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate
SMILESCOC(=O)C1=CC[C@H]([C@](C)(O)CCC=C(C)C)CC1
InChIInChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16+/m0/s1
InChIKeyZOJSSXJDOHFOTI-GOEBONIOSA-N
MW266.38 g/mol
LogP3.38
Rot. Bonds5

About methyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate

methyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate (PubChem CID 162921745) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is methyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate
PubChem CID162921745
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Namemethyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate
SMILESCOC(=O)C1=CC[C@H]([C@](C)(O)CCC=C(C)C)CC1
InChIInChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16+/m0/s1
InChIKeyZOJSSXJDOHFOTI-GOEBONIOSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
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 (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate?
The IUPAC name of methyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate (CID 162921745) is methyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate.
What is the SMILES notation for methyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate?
The canonical SMILES for methyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate is COC(=O)C1=CC[C@H]([C@](C)(O)CCC=C(C)C)CC1.
What is the InChIKey of methyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate?
The InChIKey is ZOJSSXJDOHFOTI-GOEBONIOSA-N. The full InChI is InChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3/t14-,16+/m0/s1.
What are the key properties of methyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate?
methyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate is sourced from PubChem (CID 162921745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).