6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

C23H34O — CID 139848082

IUPAC6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCOc1ccc2c(c1)CCC(C1CCC(CCC)CC1)C2
InChIInChI=1S/C23H34O/c1-3-5-15-24-23-14-13-21-16-20(11-12-22(21)17-23)19-9-7-18(6-4-2)8-10-19/h3,13-14,17-20H,1,4-12,15-16H2,2H3
InChIKeyOUMBUJZIARGSSV-UHFFFAOYSA-N
MW326.52 g/mol
LogP6.35
Rot. Bonds7

About 6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848082) has the molecular formula C23H34O and a molecular weight of 326.52 g/mol. Its IUPAC name is 6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139848082
Molecular FormulaC23H34O
Molecular Weight326.52 g/mol
Exact Mass326.26
IUPAC Name6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCOc1ccc2c(c1)CCC(C1CCC(CCC)CC1)C2
InChIInChI=1S/C23H34O/c1-3-5-15-24-23-14-13-21-16-20(11-12-22(21)17-23)19-9-7-18(6-4-2)8-10-19/h3,13-14,17-20H,1,4-12,15-16H2,2H3
InChIKeyOUMBUJZIARGSSV-UHFFFAOYSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.35
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'}

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Related Compounds

2-(4-ethylcyclohexyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848969
2-[(6R,8aR)-6-but-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-hexoxy-1,2,3,4-tetrahydronaphthalene
CID 20808572
6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848588
2-(6-but-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 22384630
2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852543
2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 58839727
6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139847809
6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139852909
2-[(6R,8aR)-6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-butoxy-1,2,3,4-tetrahydronaphthalene
CID 20808500
6-(difluoromethoxy)-2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865265
2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849291
6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853135

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (CID 139848082) is 6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is C=CCCOc1ccc2c(c1)CCC(C1CCC(CCC)CC1)C2.
What is the InChIKey of 6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OUMBUJZIARGSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O/c1-3-5-15-24-23-14-13-21-16-20(11-12-22(21)17-23)19-9-7-18(6-4-2)8-10-19/h3,13-14,17-20H,1,4-12,15-16H2,2H3.
What are the key properties of 6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 326.52 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).