ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene

C15H30 — CID 142022123

IUPACethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
SMILESC=C/C=C(\C=C/C)CCCC.CC.CC
InChIInChI=1S/C11H18.2C2H6/c1-4-7-10-11(8-5-2)9-6-3;2*1-2/h5-6,8-9H,2,4,7,10H2,1,3H3;2*1-2H3/b9-6-,11-8+;;
InChIKeyBPMZPFCOBJRMDH-ZYFXFMDASA-N
MW210.40 g/mol
LogP5.92
Rot. Bonds5

About ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene

ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene (PubChem CID 142022123) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene.

Molecular Properties

Compound Nameethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
PubChem CID142022123
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Nameethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
SMILESC=C/C=C(\C=C/C)CCCC.CC.CC
InChIInChI=1S/C11H18.2C2H6/c1-4-7-10-11(8-5-2)9-6-3;2*1-2/h5-6,8-9H,2,4,7,10H2,1,3H3;2*1-2H3/b9-6-,11-8+;;
InChIKeyBPMZPFCOBJRMDH-ZYFXFMDASA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-[(E)-prop-1-enyl]dec-5-ene
CID 102402964
[(3Z,5Z)-5-prop-2-enylidenenona-1,3-dien-2-yl] acetate
CID 138626057
3-prop-1-enylundec-2-enal
CID 54027227
(6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one
CID 163240839
bromomethane;ethane;ethene;methane;[[(5Z)-5-[(Z)-prop-1-enyl]octa-5,7-dienoyl]amino]urea
CID 144804327
(E,4E)-4-ethylidenedodec-2-ene
CID 144930771
ethane;(3E,5Z)-4-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 142823912
(3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine
CID 155001940
ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid
CID 143432503
(3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 134516324
ethane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienenitrile
CID 142107986
N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 142294235

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene?
The IUPAC name of ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene (CID 142022123) is ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene.
What is the SMILES notation for ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene?
The canonical SMILES for ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene is C=C/C=C(\C=C/C)CCCC.CC.CC.
What is the InChIKey of ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene?
The InChIKey is BPMZPFCOBJRMDH-ZYFXFMDASA-N. The full InChI is InChI=1S/C11H18.2C2H6/c1-4-7-10-11(8-5-2)9-6-3;2*1-2/h5-6,8-9H,2,4,7,10H2,1,3H3;2*1-2H3/b9-6-,11-8+;;.
What are the key properties of ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene?
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene has a molecular weight of 210.40 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene is sourced from PubChem (CID 142022123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).