2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene

C27H30 — CID 139848861

IUPAC2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
SMILESC/C=C/CCc1ccc2c(c1)CCC(c1ccc3cc(CC)ccc3c1)C2
InChIInChI=1S/C27H30/c1-3-5-6-7-21-9-11-25-19-27(15-13-23(25)17-21)26-14-12-22-16-20(4-2)8-10-24(22)18-26/h3,5,8-12,14,16-18,27H,4,6-7,13,15,19H2,1-2H3/b5-3+
InChIKeyXEILYRPOBLPQJG-HWKANZROSA-N
MW354.54 g/mol
LogP7.18
Rot. Bonds5

About 2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene

2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene (PubChem CID 139848861) has the molecular formula C27H30 and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene.

Molecular Properties

Compound Name2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
PubChem CID139848861
Molecular FormulaC27H30
Molecular Weight354.54 g/mol
Exact Mass354.23
IUPAC Name2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
SMILESC/C=C/CCc1ccc2c(c1)CCC(c1ccc3cc(CC)ccc3c1)C2
InChIInChI=1S/C27H30/c1-3-5-6-7-21-9-11-25-19-27(15-13-23(25)17-21)26-14-12-22-16-20(4-2)8-10-24(22)18-26/h3,5,8-12,14,16-18,27H,4,6-7,13,15,19H2,1-2H3/b5-3+
InChIKeyXEILYRPOBLPQJG-HWKANZROSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853671
2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139849040
1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene
CID 139848807
2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848040
2-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-[(E)-pent-3-enyl]naphthalene
CID 20807949
6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849814
6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
CID 139849818
2-heptyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139849239
2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
CID 139848411
6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849735
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139849353
6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849706

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene?
The IUPAC name of 2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene (CID 139848861) is 2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene.
What is the SMILES notation for 2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene?
The canonical SMILES for 2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene is C/C=C/CCc1ccc2c(c1)CCC(c1ccc3cc(CC)ccc3c1)C2.
What is the InChIKey of 2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene?
The InChIKey is XEILYRPOBLPQJG-HWKANZROSA-N. The full InChI is InChI=1S/C27H30/c1-3-5-6-7-21-9-11-25-19-27(15-13-23(25)17-21)26-14-12-22-16-20(4-2)8-10-24(22)18-26/h3,5,8-12,14,16-18,27H,4,6-7,13,15,19H2,1-2H3/b5-3+.
What are the key properties of 2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene?
2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene has a molecular weight of 354.54 g/mol, XLogP of 7.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene is sourced from PubChem (CID 139848861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).