(3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene

C20H28 — CID 174061787

IUPAC(3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene
SMILESCC[C@@]1(C)/C(=C2/CCC[C@@H]2C)CCc2cc(C)ccc21
InChIInChI=1S/C20H28/c1-5-20(4)18-11-9-14(2)13-16(18)10-12-19(20)17-8-6-7-15(17)3/h9,11,13,15H,5-8,10,12H2,1-4H3/b19-17-/t15-,20+/m0/s1
InChIKeyBHSWRECILXGEMQ-XNUJGKRSSA-N
MW268.44 g/mol
LogP5.73
Rot. Bonds1

About (3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene

(3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene (PubChem CID 174061787) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is (3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene.

Molecular Properties

Compound Name(3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene
PubChem CID174061787
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name(3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene
SMILESCC[C@@]1(C)/C(=C2/CCC[C@@H]2C)CCc2cc(C)ccc21
InChIInChI=1S/C20H28/c1-5-20(4)18-11-9-14(2)13-16(18)10-12-19(20)17-8-6-7-15(17)3/h9,11,13,15H,5-8,10,12H2,1-4H3/b19-17-/t15-,20+/m0/s1
InChIKeyBHSWRECILXGEMQ-XNUJGKRSSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene?
The IUPAC name of (3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene (CID 174061787) is (3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene.
What is the SMILES notation for (3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene?
The canonical SMILES for (3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene is CC[C@@]1(C)/C(=C2/CCC[C@@H]2C)CCc2cc(C)ccc21.
What is the InChIKey of (3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene?
The InChIKey is BHSWRECILXGEMQ-XNUJGKRSSA-N. The full InChI is InChI=1S/C20H28/c1-5-20(4)18-11-9-14(2)13-16(18)10-12-19(20)17-8-6-7-15(17)3/h9,11,13,15H,5-8,10,12H2,1-4H3/b19-17-/t15-,20+/m0/s1.
What are the key properties of (3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene?
(3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene has a molecular weight of 268.44 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4S)-4-ethyl-4,7-dimethyl-3-[(2S)-2-methylcyclopentylidene]-1,2-dihydronaphthalene is sourced from PubChem (CID 174061787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).