7-ethyl-5-propan-2-ylundeca-1,6-diene

C16H30 — CID 173295898

IUPAC7-ethyl-5-propan-2-ylundeca-1,6-diene
SMILESC=CCCC(C=C(CC)CCCC)C(C)C
InChIInChI=1S/C16H30/c1-6-9-11-15(8-3)13-16(14(4)5)12-10-7-2/h7,13-14,16H,2,6,8-12H2,1,3-5H3
InChIKeyICFBPJXSTNAKTH-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.75
Rot. Bonds9

About 7-ethyl-5-propan-2-ylundeca-1,6-diene

7-ethyl-5-propan-2-ylundeca-1,6-diene (PubChem CID 173295898) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 7-ethyl-5-propan-2-ylundeca-1,6-diene.

Molecular Properties

Compound Name7-ethyl-5-propan-2-ylundeca-1,6-diene
PubChem CID173295898
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name7-ethyl-5-propan-2-ylundeca-1,6-diene
SMILESC=CCCC(C=C(CC)CCCC)C(C)C
InChIInChI=1S/C16H30/c1-6-9-11-15(8-3)13-16(14(4)5)12-10-7-2/h7,13-14,16H,2,6,8-12H2,1,3-5H3
InChIKeyICFBPJXSTNAKTH-UHFFFAOYSA-N
XLogP5.75
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 ≤ 55.75
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

(E)-4-ethyltetradec-3-en-2-ol
CID 101429656
(5R,6S)-dec-1-ene-5,6-diol
CID 10511398
(6E)-6-ethylidenedec-1-ene
CID 173031906
(5R,6R)-dec-1-ene-5,6-diol
CID 10844929
6-ethyl-2-methyldec-5-ene
CID 123276587
6-ethyl-10-methylundeca-1,5-diene
CID 58970902
(E)-3-ethyl-1,1-dimethoxyhept-2-ene
CID 11052356
7-ethylnona-1,7-diene
CID 54551079
5-methyl-6-propan-2-yldec-1-ene
CID 90885410
5-methylheptadec-1-ene
CID 172780073
5-methylicos-1-ene
CID 145462707
5-(ethenylsulfanylmethylidene)nonane
CID 139298116

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-propan-2-ylundeca-1,6-diene?
The IUPAC name of 7-ethyl-5-propan-2-ylundeca-1,6-diene (CID 173295898) is 7-ethyl-5-propan-2-ylundeca-1,6-diene.
What is the SMILES notation for 7-ethyl-5-propan-2-ylundeca-1,6-diene?
The canonical SMILES for 7-ethyl-5-propan-2-ylundeca-1,6-diene is C=CCCC(C=C(CC)CCCC)C(C)C.
What is the InChIKey of 7-ethyl-5-propan-2-ylundeca-1,6-diene?
The InChIKey is ICFBPJXSTNAKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-6-9-11-15(8-3)13-16(14(4)5)12-10-7-2/h7,13-14,16H,2,6,8-12H2,1,3-5H3.
What are the key properties of 7-ethyl-5-propan-2-ylundeca-1,6-diene?
7-ethyl-5-propan-2-ylundeca-1,6-diene has a molecular weight of 222.42 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-propan-2-ylundeca-1,6-diene is sourced from PubChem (CID 173295898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).