7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene

C16H24 — CID 123252708

IUPAC7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene
SMILESC=CC=C(C=C(C=CC)CC)C(C)CC=C
InChIInChI=1S/C16H24/c1-6-10-14(5)16(12-8-3)13-15(9-4)11-7-2/h6-8,11-14H,1,3,9-10H2,2,4-5H3
InChIKeyDGEMKXPHDUIADV-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.22
Rot. Bonds7

About 7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene

7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene (PubChem CID 123252708) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene.

Molecular Properties

Compound Name7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene
PubChem CID123252708
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene
SMILESC=CC=C(C=C(C=CC)CC)C(C)CC=C
InChIInChI=1S/C16H24/c1-6-10-14(5)16(12-8-3)13-15(9-4)11-7-2/h6-8,11-14H,1,3,9-10H2,2,4-5H3
InChIKeyDGEMKXPHDUIADV-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.22
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

(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963
ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene
CID 143201659
(3E,5E,7E)-4-ethylnona-1,3,5,7-tetraene
CID 143912648
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
(3E,5Z)-4-(2-methylbutoxymethyl)hepta-1,3,5-triene
CID 143465864
6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
CID 123708216
(3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 134516324
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
CID 143782446
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene?
The IUPAC name of 7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene (CID 123252708) is 7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene.
What is the SMILES notation for 7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene?
The canonical SMILES for 7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene is C=CC=C(C=C(C=CC)CC)C(C)CC=C.
What is the InChIKey of 7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene?
The InChIKey is DGEMKXPHDUIADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-6-10-14(5)16(12-8-3)13-15(9-4)11-7-2/h6-8,11-14H,1,3,9-10H2,2,4-5H3.
What are the key properties of 7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene?
7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene has a molecular weight of 216.37 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methyl-5-prop-2-enylidenedeca-1,6,8-triene is sourced from PubChem (CID 123252708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).