acetylene;2-methyl-3-[(E)-non-1-enyl]phenol

C18H26O — CID 142088594

IUPACacetylene;2-methyl-3-[(E)-non-1-enyl]phenol
SMILESC#C.CCCCCCC/C=C/c1cccc(O)c1C
InChIInChI=1S/C16H24O.C2H2/c1-3-4-5-6-7-8-9-11-15-12-10-13-16(17)14(15)2;1-2/h9-13,17H,3-8H2,1-2H3;1-2H/b11-9+;
InChIKeyMUCSFMMEAMCPCU-LBEJWNQZSA-N
MW258.40 g/mol
LogP5.32
Rot. Bonds7

About acetylene;2-methyl-3-[(E)-non-1-enyl]phenol

acetylene;2-methyl-3-[(E)-non-1-enyl]phenol (PubChem CID 142088594) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is acetylene;2-methyl-3-[(E)-non-1-enyl]phenol.

Molecular Properties

Compound Nameacetylene;2-methyl-3-[(E)-non-1-enyl]phenol
PubChem CID142088594
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Nameacetylene;2-methyl-3-[(E)-non-1-enyl]phenol
SMILESC#C.CCCCCCC/C=C/c1cccc(O)c1C
InChIInChI=1S/C16H24O.C2H2/c1-3-4-5-6-7-8-9-11-15-12-10-13-16(17)14(15)2;1-2/h9-13,17H,3-8H2,1-2H3;1-2H/b11-9+;
InChIKeyMUCSFMMEAMCPCU-LBEJWNQZSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-pentadec-1-enylphenol
CID 69052424
3-hept-1-enyl-2-methylphenol
CID 140713587
3-dec-1-enylbenzene-1,2-diol
CID 139606028
3-[(E)-but-1-enyl]-2-methylphenol
CID 173140204
3-dec-1-enyl-2-(2-hydroxyphenyl)phenol
CID 139606032
3-dodec-1-enyl-2-(2-hydroxyphenyl)phenol
CID 139606033
3-(4-chlorobut-1-enyl)-2-methylphenol
CID 154254910
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
1,2,3-trimethyl-4-oct-1-enylbenzene
CID 173045984
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495

Frequently Asked Questions

What is the IUPAC name of acetylene;2-methyl-3-[(E)-non-1-enyl]phenol?
The IUPAC name of acetylene;2-methyl-3-[(E)-non-1-enyl]phenol (CID 142088594) is acetylene;2-methyl-3-[(E)-non-1-enyl]phenol.
What is the SMILES notation for acetylene;2-methyl-3-[(E)-non-1-enyl]phenol?
The canonical SMILES for acetylene;2-methyl-3-[(E)-non-1-enyl]phenol is C#C.CCCCCCC/C=C/c1cccc(O)c1C.
What is the InChIKey of acetylene;2-methyl-3-[(E)-non-1-enyl]phenol?
The InChIKey is MUCSFMMEAMCPCU-LBEJWNQZSA-N. The full InChI is InChI=1S/C16H24O.C2H2/c1-3-4-5-6-7-8-9-11-15-12-10-13-16(17)14(15)2;1-2/h9-13,17H,3-8H2,1-2H3;1-2H/b11-9+;.
What are the key properties of acetylene;2-methyl-3-[(E)-non-1-enyl]phenol?
acetylene;2-methyl-3-[(E)-non-1-enyl]phenol has a molecular weight of 258.40 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-methyl-3-[(E)-non-1-enyl]phenol is sourced from PubChem (CID 142088594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).