(3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene

C14H20 — CID 145452305

IUPAC(3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene
SMILESC=C/C=C\C(=C(C)C)[C@H](C=C)CC=C
InChIInChI=1S/C14H20/c1-6-9-11-14(12(4)5)13(8-3)10-7-2/h6-9,11,13H,1-3,10H2,4-5H3/b11-9-/t13-/m1/s1
InChIKeyQLCIVWQOCUISEC-PRWOLLLXSA-N
MW188.31 g/mol
LogP4.44
Rot. Bonds6

About (3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene

(3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene (PubChem CID 145452305) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene.

Molecular Properties

Compound Name(3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene
PubChem CID145452305
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene
SMILESC=C/C=C\C(=C(C)C)[C@H](C=C)CC=C
InChIInChI=1S/C14H20/c1-6-9-11-14(12(4)5)13(8-3)10-7-2/h6-9,11,13H,1-3,10H2,4-5H3/b11-9-/t13-/m1/s1
InChIKeyQLCIVWQOCUISEC-PRWOLLLXSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-ethenylhex-5-en-2-one
CID 529432
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
(3E,5E)-6,7-bis(ethenyl)-3-methyldeca-1,3,5,9-tetraene
CID 142289547
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
[(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite
CID 137490290
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine
CID 126710731
5-methylocta-1,3,5-triene
CID 123706098
(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
CID 145164686
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
(2Z,4Z)-hepta-2,4,6-triene-2,3-diol
CID 130419647
5,6,7-trimethylnona-1,3,5-triene
CID 123607192

Frequently Asked Questions

What is the IUPAC name of (3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene?
The IUPAC name of (3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene (CID 145452305) is (3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene.
What is the SMILES notation for (3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene?
The canonical SMILES for (3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene is C=C/C=C\C(=C(C)C)[C@H](C=C)CC=C.
What is the InChIKey of (3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene?
The InChIKey is QLCIVWQOCUISEC-PRWOLLLXSA-N. The full InChI is InChI=1S/C14H20/c1-6-9-11-14(12(4)5)13(8-3)10-7-2/h6-9,11,13H,1-3,10H2,4-5H3/b11-9-/t13-/m1/s1.
What are the key properties of (3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene?
(3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene has a molecular weight of 188.31 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene is sourced from PubChem (CID 145452305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).