6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene

C17H24 — CID 83931784

IUPAC6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C\CC(CC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H24/c1-3-5-8-14(4-2)17-12-11-15-9-6-7-10-16(15)13-17/h3,5,11-14H,4,6-10H2,1-2H3/b5-3-
InChIKeyXAKSDCAPOHCVHV-HYXAFXHYSA-N
MW228.38 g/mol
LogP5.03
Rot. Bonds4

About 6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene

6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 83931784) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene
PubChem CID83931784
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C\CC(CC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H24/c1-3-5-8-14(4-2)17-12-11-15-9-6-7-10-16(15)13-17/h3,5,11-14H,4,6-10H2,1-2H3/b5-3-
InChIKeyXAKSDCAPOHCVHV-HYXAFXHYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.03
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-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane
CID 83931797
5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol
CID 83931813
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid
CID 83931825
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
CID 112718565
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
3-(6-ethenyl-2,12-diphenyltetradec-9-en-4-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 170686978
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
2-(3,4-dihydro-2H-thiochromen-6-yl)butan-1-ol
CID 116964166

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene (CID 83931784) is 6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene is C/C=C\CC(CC)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XAKSDCAPOHCVHV-HYXAFXHYSA-N. The full InChI is InChI=1S/C17H24/c1-3-5-8-14(4-2)17-12-11-15-9-6-7-10-16(15)13-17/h3,5,11-14H,4,6-10H2,1-2H3/b5-3-.
What are the key properties of 6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene?
6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 228.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 83931784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).