2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan

C21H34O — CID 67684448

IUPAC2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan
SMILESCCCCCCC/C=C\C/C=C\CCCCCc1ccco1
InChIInChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h8-9,11-12,17,19-20H,2-7,10,13-16,18H2,1H3/b9-8-,12-11-
InChIKeyBUBOVACRYWLEHQ-MURFETPASA-N
MW302.50 g/mol
LogP7.25
Rot. Bonds14

About 2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan

2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan (PubChem CID 67684448) has the molecular formula C21H34O and a molecular weight of 302.50 g/mol. Its IUPAC name is 2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan.

Molecular Properties

Compound Name2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan
PubChem CID67684448
Molecular FormulaC21H34O
Molecular Weight302.50 g/mol
Exact Mass302.26
IUPAC Name2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan
SMILESCCCCCCC/C=C\C/C=C\CCCCCc1ccco1
InChIInChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h8-9,11-12,17,19-20H,2-7,10,13-16,18H2,1H3/b9-8-,12-11-
InChIKeyBUBOVACRYWLEHQ-MURFETPASA-N
XLogP7.25
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

dilithium;(6Z,9Z)-17-bromoheptadeca-6,9-diene;furan;bis(2H-furan-2-ide);2-[(8Z,11Z)-heptadeca-8,11-dienyl]furan;(9Z,12Z)-octadeca-9,12-dienoic acid
CID 158932987
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
2-tridec-1-enylfuran
CID 76580057
2-non-4-ynylfuran
CID 102274443
(3E,6S,7E,9E)-17-(furan-2-yl)heptadeca-3,7,9-trien-6-ol
CID 162975231
dilithium;(E)-17-bromoheptadec-8-ene;furan;bis(2H-furan-2-ide);(E)-heptadec-9-enoic acid;2-[(E)-heptadec-9-enyl]furan
CID 158183599
[(Z)-heptadec-10-enyl]benzene
CID 175397737
2-[(E)-hex-2-enyl]furan
CID 13275150
nonadec-10-enylbenzene
CID 54264053
N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide
CID 57320654

Frequently Asked Questions

What is the IUPAC name of 2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan?
The IUPAC name of 2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan (CID 67684448) is 2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan.
What is the SMILES notation for 2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan?
The canonical SMILES for 2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan is CCCCCCC/C=C\C/C=C\CCCCCc1ccco1.
What is the InChIKey of 2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan?
The InChIKey is BUBOVACRYWLEHQ-MURFETPASA-N. The full InChI is InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h8-9,11-12,17,19-20H,2-7,10,13-16,18H2,1H3/b9-8-,12-11-.
What are the key properties of 2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan?
2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan has a molecular weight of 302.50 g/mol, XLogP of 7.25, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan is sourced from PubChem (CID 67684448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).