[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate

C16H26O2 — CID 87471905

IUPAC[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate
SMILESCC(C)=CCC[C@@](C)(OC=O)[C@H]1CC=C(C)CC1
InChIInChI=1S/C16H26O2/c1-13(2)6-5-11-16(4,18-12-17)15-9-7-14(3)8-10-15/h6-7,12,15H,5,8-11H2,1-4H3/t15-,16+/m0/s1
InChIKeyYGQVNJQGEQJOOG-JKSUJKDBSA-N
MW250.38 g/mol
LogP4.41
Rot. Bonds6

About [(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate

[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate (PubChem CID 87471905) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is [(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate.

Molecular Properties

Compound Name[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate
PubChem CID87471905
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate
SMILESCC(C)=CCC[C@@](C)(OC=O)[C@H]1CC=C(C)CC1
InChIInChI=1S/C16H26O2/c1-13(2)6-5-11-16(4,18-12-17)15-9-7-14(3)8-10-15/h6-7,12,15H,5,8-11H2,1-4H3/t15-,16+/m0/s1
InChIKeyYGQVNJQGEQJOOG-JKSUJKDBSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate?
The IUPAC name of [(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate (CID 87471905) is [(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate.
What is the SMILES notation for [(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate?
The canonical SMILES for [(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate is CC(C)=CCC[C@@](C)(OC=O)[C@H]1CC=C(C)CC1.
What is the InChIKey of [(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate?
The InChIKey is YGQVNJQGEQJOOG-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H26O2/c1-13(2)6-5-11-16(4,18-12-17)15-9-7-14(3)8-10-15/h6-7,12,15H,5,8-11H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of [(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate?
[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate has a molecular weight of 250.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate is sourced from PubChem (CID 87471905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).