(E,5S)-5,6,6-trimethylhept-3-ene

C10H20 — CID 134979568

IUPAC(E,5S)-5,6,6-trimethylhept-3-ene
SMILESCC/C=C/[C@H](C)C(C)(C)C
InChIInChI=1S/C10H20/c1-6-7-8-9(2)10(3,4)5/h7-9H,6H2,1-5H3/b8-7+/t9-/m0/s1
InChIKeyLCWSMDLLWJUDSG-FLOXNTQESA-N
MW140.27 g/mol
LogP3.63
Rot. Bonds2

About (E,5S)-5,6,6-trimethylhept-3-ene

(E,5S)-5,6,6-trimethylhept-3-ene (PubChem CID 134979568) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is (E,5S)-5,6,6-trimethylhept-3-ene.

Molecular Properties

Compound Name(E,5S)-5,6,6-trimethylhept-3-ene
PubChem CID134979568
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name(E,5S)-5,6,6-trimethylhept-3-ene
SMILESCC/C=C/[C@H](C)C(C)(C)C
InChIInChI=1S/C10H20/c1-6-7-8-9(2)10(3,4)5/h7-9H,6H2,1-5H3/b8-7+/t9-/m0/s1
InChIKeyLCWSMDLLWJUDSG-FLOXNTQESA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.63
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

Humulene
CID 5281520
2-Methyl-3-heptene, (3E)-
CID 5357255
4-Tert-butylcyclohex-1-ene
CID 16688
2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene
CID 6508206
(E)-2,2-Dimethylhept-3-ene
CID 5352650
5-Methyl-3-heptene (cis-and trans-mixture)
CID 5462826
(1E,4E,8Z)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
CID 6187145
Santolina triene
CID 519872
Npc178565
CID 572119
2,6-Dimethyl-3-heptene
CID 102326
3-Heptene, 3,5,5-trimethyl-
CID 74910
(Z)-4,5-Dimethylhex-2-ene
CID 6430915

Frequently Asked Questions

What is the IUPAC name of (E,5S)-5,6,6-trimethylhept-3-ene?
The IUPAC name of (E,5S)-5,6,6-trimethylhept-3-ene (CID 134979568) is (E,5S)-5,6,6-trimethylhept-3-ene.
What is the SMILES notation for (E,5S)-5,6,6-trimethylhept-3-ene?
The canonical SMILES for (E,5S)-5,6,6-trimethylhept-3-ene is CC/C=C/[C@H](C)C(C)(C)C.
What is the InChIKey of (E,5S)-5,6,6-trimethylhept-3-ene?
The InChIKey is LCWSMDLLWJUDSG-FLOXNTQESA-N. The full InChI is InChI=1S/C10H20/c1-6-7-8-9(2)10(3,4)5/h7-9H,6H2,1-5H3/b8-7+/t9-/m0/s1.
What are the key properties of (E,5S)-5,6,6-trimethylhept-3-ene?
(E,5S)-5,6,6-trimethylhept-3-ene has a molecular weight of 140.27 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-5,6,6-trimethylhept-3-ene is sourced from PubChem (CID 134979568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).