8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene

C12H18 — CID 152648717

IUPAC8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene
SMILESCC=C1C=CCC2CCCCC12
InChIInChI=1S/C12H18/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2,5,7,11-12H,3-4,6,8-9H2,1H3
InChIKeyZHCGNWUCRBCFDB-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.70
Rot. Bonds

About 8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene

8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene (PubChem CID 152648717) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene.

Molecular Properties

Compound Name8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene
PubChem CID152648717
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene
SMILESCC=C1C=CCC2CCCCC12
InChIInChI=1S/C12H18/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2,5,7,11-12H,3-4,6,8-9H2,1H3
InChIKeyZHCGNWUCRBCFDB-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene?
The IUPAC name of 8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene (CID 152648717) is 8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene.
What is the SMILES notation for 8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene?
The canonical SMILES for 8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene is CC=C1C=CCC2CCCCC12.
What is the InChIKey of 8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene?
The InChIKey is ZHCGNWUCRBCFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2,5,7,11-12H,3-4,6,8-9H2,1H3.
What are the key properties of 8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene?
8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene has a molecular weight of 162.28 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene is sourced from PubChem (CID 152648717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).