(8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene

C17H22 — CID 13164040

IUPAC(8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
SMILESC(=C1\CCCC2CCCCC12)\c1ccccc1
InChIInChI=1S/C17H22/c1-2-7-14(8-3-1)13-16-11-6-10-15-9-4-5-12-17(15)16/h1-3,7-8,13,15,17H,4-6,9-12H2/b16-13+
InChIKeyJFDDWRVVNHDRMH-DTQAZKPQSA-N
MW226.36 g/mol
LogP5.06
Rot. Bonds1

About (8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene

(8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene (PubChem CID 13164040) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is (8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene.

Molecular Properties

Compound Name(8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
PubChem CID13164040
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name(8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
SMILESC(=C1\CCCC2CCCCC12)\c1ccccc1
InChIInChI=1S/C17H22/c1-2-7-14(8-3-1)13-16-11-6-10-15-9-4-5-12-17(15)16/h1-3,7-8,13,15,17H,4-6,9-12H2/b16-13+
InChIKeyJFDDWRVVNHDRMH-DTQAZKPQSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 150295309
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CID 11938660
(3-methyl-2-nitrosocyclohexylidene)methylbenzene
CID 57234852
[(E)-(2-cyclohexylcyclopentylidene)methyl]cyclohexane
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CID 102458631
[(1S,2Z)-2-benzylidenecyclopentyl] acetate
CID 102458630
(2E,5E)-2,5-dibenzylidenecyclopentan-1-ol
CID 12642987
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(2E,3aS,7aR)-2-benzylidene-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
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CID 134946753
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Frequently Asked Questions

What is the IUPAC name of (8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The IUPAC name of (8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene (CID 13164040) is (8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene.
What is the SMILES notation for (8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The canonical SMILES for (8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene is C(=C1\CCCC2CCCCC12)\c1ccccc1.
What is the InChIKey of (8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The InChIKey is JFDDWRVVNHDRMH-DTQAZKPQSA-N. The full InChI is InChI=1S/C17H22/c1-2-7-14(8-3-1)13-16-11-6-10-15-9-4-5-12-17(15)16/h1-3,7-8,13,15,17H,4-6,9-12H2/b16-13+.
What are the key properties of (8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
(8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene has a molecular weight of 226.36 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene is sourced from PubChem (CID 13164040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).