6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene

C23H34O — CID 146278013

IUPAC6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)=CCCC(C)CCO/C=C(\C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H34O/c1-18(2)8-7-9-19(3)14-15-24-17-20(4)22-13-12-21-10-5-6-11-23(21)16-22/h8,12-13,16-17,19H,5-7,9-11,14-15H2,1-4H3/b20-17+
InChIKeyWEWBULGHIBJXHH-LVZFUZTISA-N
MW326.52 g/mol
LogP6.72
Rot. Bonds8

About 6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene

6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 146278013) has the molecular formula C23H34O and a molecular weight of 326.52 g/mol. Its IUPAC name is 6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene
PubChem CID146278013
Molecular FormulaC23H34O
Molecular Weight326.52 g/mol
Exact Mass326.26
IUPAC Name6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)=CCCC(C)CCO/C=C(\C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H34O/c1-18(2)8-7-9-19(3)14-15-24-17-20(4)22-13-12-21-10-5-6-11-23(21)16-22/h8,12-13,16-17,19H,5-7,9-11,14-15H2,1-4H3/b20-17+
InChIKeyWEWBULGHIBJXHH-LVZFUZTISA-N
XLogP6.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene (CID 146278013) is 6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene is CC(C)=CCCC(C)CCO/C=C(\C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WEWBULGHIBJXHH-LVZFUZTISA-N. The full InChI is InChI=1S/C23H34O/c1-18(2)8-7-9-19(3)14-15-24-17-20(4)22-13-12-21-10-5-6-11-23(21)16-22/h8,12-13,16-17,19H,5-7,9-11,14-15H2,1-4H3/b20-17+.
What are the key properties of 6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene?
6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 326.52 g/mol, XLogP of 6.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 146278013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).