[(3R)-3-methoxyoct-7-en-1-ynyl]benzene

C15H18O — CID 135042542

IUPAC[(3R)-3-methoxyoct-7-en-1-ynyl]benzene
SMILESC=CCCC[C@H](C#Cc1ccccc1)OC
InChIInChI=1S/C15H18O/c1-3-4-6-11-15(16-2)13-12-14-9-7-5-8-10-14/h3,5,7-10,15H,1,4,6,11H2,2H3/t15-/m1/s1
InChIKeyOXEMGBNTCBOKGI-OAHLLOKOSA-N
MW214.31 g/mol
LogP3.41
Rot. Bonds5

About [(3R)-3-methoxyoct-7-en-1-ynyl]benzene

[(3R)-3-methoxyoct-7-en-1-ynyl]benzene (PubChem CID 135042542) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is [(3R)-3-methoxyoct-7-en-1-ynyl]benzene.

Molecular Properties

Compound Name[(3R)-3-methoxyoct-7-en-1-ynyl]benzene
PubChem CID135042542
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name[(3R)-3-methoxyoct-7-en-1-ynyl]benzene
SMILESC=CCCC[C@H](C#Cc1ccccc1)OC
InChIInChI=1S/C15H18O/c1-3-4-6-11-15(16-2)13-12-14-9-7-5-8-10-14/h3,5,7-10,15H,1,4,6,11H2,2H3/t15-/m1/s1
InChIKeyOXEMGBNTCBOKGI-OAHLLOKOSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxyhex-5-enyl)-4-phenylbenzene
CID 163855883
1-phenylhex-5-en-1-yn-3-yl acetate
CID 102073448
N-benzyl-1-phenyltridec-12-en-1-yn-3-amine
CID 53388248
N,N-diethyl-1-phenylhex-5-en-1-yn-3-amine
CID 4266736
1-bromohex-5-enylbenzene
CID 13296849
1-phenyltetradec-13-en-1-yn-4-ol
CID 101070009
(4,4-dimethyl-3-prop-2-enoxypent-1-ynyl)benzene
CID 10977247
1-phenylhex-1-yn-3-yl acetate
CID 3718718
dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
CID 158724514
(3-ethoxy-5-phenylpenta-1,4-diynyl)benzene
CID 10730067
[3-butyl-4,5-dimethylidene-6-(2-phenylethynyl)dec-1-ynyl]benzene
CID 12964189
2-propylhept-6-enylbenzene
CID 123998172

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methoxyoct-7-en-1-ynyl]benzene?
The IUPAC name of [(3R)-3-methoxyoct-7-en-1-ynyl]benzene (CID 135042542) is [(3R)-3-methoxyoct-7-en-1-ynyl]benzene.
What is the SMILES notation for [(3R)-3-methoxyoct-7-en-1-ynyl]benzene?
The canonical SMILES for [(3R)-3-methoxyoct-7-en-1-ynyl]benzene is C=CCCC[C@H](C#Cc1ccccc1)OC.
What is the InChIKey of [(3R)-3-methoxyoct-7-en-1-ynyl]benzene?
The InChIKey is OXEMGBNTCBOKGI-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18O/c1-3-4-6-11-15(16-2)13-12-14-9-7-5-8-10-14/h3,5,7-10,15H,1,4,6,11H2,2H3/t15-/m1/s1.
What are the key properties of [(3R)-3-methoxyoct-7-en-1-ynyl]benzene?
[(3R)-3-methoxyoct-7-en-1-ynyl]benzene has a molecular weight of 214.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methoxyoct-7-en-1-ynyl]benzene is sourced from PubChem (CID 135042542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).