(E,8Z)-8-ethylidene-7-methyltridec-4-ene

C16H30 — CID 143721340

IUPAC(E,8Z)-8-ethylidene-7-methyltridec-4-ene
SMILESC/C=C(/CCCCC)C(C)C/C=C/CCC
InChIInChI=1S/C16H30/c1-5-8-10-12-13-15(4)16(7-3)14-11-9-6-2/h7,10,12,15H,5-6,8-9,11,13-14H2,1-4H3/b12-10+,16-7-
InChIKeySQPQDWVRDJCLLK-RICPEHARSA-N
MW222.42 g/mol
LogP5.90
Rot. Bonds9

About (E,8Z)-8-ethylidene-7-methyltridec-4-ene

(E,8Z)-8-ethylidene-7-methyltridec-4-ene (PubChem CID 143721340) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is (E,8Z)-8-ethylidene-7-methyltridec-4-ene.

Molecular Properties

Compound Name(E,8Z)-8-ethylidene-7-methyltridec-4-ene
PubChem CID143721340
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name(E,8Z)-8-ethylidene-7-methyltridec-4-ene
SMILESC/C=C(/CCCCC)C(C)C/C=C/CCC
InChIInChI=1S/C16H30/c1-5-8-10-12-13-15(4)16(7-3)14-11-9-6-2/h7,10,12,15H,5-6,8-9,11,13-14H2,1-4H3/b12-10+,16-7-
InChIKeySQPQDWVRDJCLLK-RICPEHARSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexane;(Z)-hex-2-ene
CID 159343029
(E)-2-methyldec-4-ene
CID 5364887
2-methylundec-4-enoyl 2-methylundec-4-enoate
CID 175429820
(Z)-hexadec-4-ene-7,8-diol
CID 118508493
(E,2S,3R)-3-methylnon-5-en-2-ol
CID 122413916
(4Z)-4-ethylidene-5-methylnonane
CID 142307818
3-methylnon-5-en-2-ol
CID 91526423
(E,2R)-non-4-en-2-ol
CID 131232400
17-ethylidenepentatriaconta-4,7,26,29-tetraene
CID 90788931
7-prop-2-enyldodec-4-ene
CID 173342323
3-methylundec-5-en-2-ol
CID 91383735
henicosa-4,14-diene
CID 91309991

Frequently Asked Questions

What is the IUPAC name of (E,8Z)-8-ethylidene-7-methyltridec-4-ene?
The IUPAC name of (E,8Z)-8-ethylidene-7-methyltridec-4-ene (CID 143721340) is (E,8Z)-8-ethylidene-7-methyltridec-4-ene.
What is the SMILES notation for (E,8Z)-8-ethylidene-7-methyltridec-4-ene?
The canonical SMILES for (E,8Z)-8-ethylidene-7-methyltridec-4-ene is C/C=C(/CCCCC)C(C)C/C=C/CCC.
What is the InChIKey of (E,8Z)-8-ethylidene-7-methyltridec-4-ene?
The InChIKey is SQPQDWVRDJCLLK-RICPEHARSA-N. The full InChI is InChI=1S/C16H30/c1-5-8-10-12-13-15(4)16(7-3)14-11-9-6-2/h7,10,12,15H,5-6,8-9,11,13-14H2,1-4H3/b12-10+,16-7-.
What are the key properties of (E,8Z)-8-ethylidene-7-methyltridec-4-ene?
(E,8Z)-8-ethylidene-7-methyltridec-4-ene has a molecular weight of 222.42 g/mol, XLogP of 5.90, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,8Z)-8-ethylidene-7-methyltridec-4-ene is sourced from PubChem (CID 143721340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).