2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene

C16H24O — CID 14107509

IUPAC2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene
SMILESCOc1cc(C)ccc1[C@H](C)CCC=C(C)C
InChIInChI=1S/C16H24O/c1-12(2)7-6-8-14(4)15-10-9-13(3)11-16(15)17-5/h7,9-11,14H,6,8H2,1-5H3/t14-/m1/s1
InChIKeyUUUJYNNOXLNYSR-CQSZACIVSA-N
MW232.37 g/mol
LogP4.85
Rot. Bonds5

About 2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene

2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene (PubChem CID 14107509) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene.

Molecular Properties

Compound Name2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene
PubChem CID14107509
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene
SMILESCOc1cc(C)ccc1[C@H](C)CCC=C(C)C
InChIInChI=1S/C16H24O/c1-12(2)7-6-8-14(4)15-10-9-13(3)11-16(15)17-5/h7,9-11,14H,6,8H2,1-5H3/t14-/m1/s1
InChIKeyUUUJYNNOXLNYSR-CQSZACIVSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene?
The IUPAC name of 2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene (CID 14107509) is 2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene.
What is the SMILES notation for 2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene?
The canonical SMILES for 2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene is COc1cc(C)ccc1[C@H](C)CCC=C(C)C.
What is the InChIKey of 2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene?
The InChIKey is UUUJYNNOXLNYSR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24O/c1-12(2)7-6-8-14(4)15-10-9-13(3)11-16(15)17-5/h7,9-11,14H,6,8H2,1-5H3/t14-/m1/s1.
What are the key properties of 2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene?
2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene has a molecular weight of 232.37 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]benzene is sourced from PubChem (CID 14107509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).