5-but-1-enyl-5-prop-2-enylnona-3,6-diene

C16H26 — CID 173069698

IUPAC5-but-1-enyl-5-prop-2-enylnona-3,6-diene
SMILESC=CCC(C=CCC)(C=CCC)C=CCC
InChIInChI=1S/C16H26/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h8-11,13-15H,4-7,12H2,1-3H3
InChIKeyVPTHMPQCMUSRRZ-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.45
Rot. Bonds8

About 5-but-1-enyl-5-prop-2-enylnona-3,6-diene

5-but-1-enyl-5-prop-2-enylnona-3,6-diene (PubChem CID 173069698) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 5-but-1-enyl-5-prop-2-enylnona-3,6-diene.

Molecular Properties

Compound Name5-but-1-enyl-5-prop-2-enylnona-3,6-diene
PubChem CID173069698
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name5-but-1-enyl-5-prop-2-enylnona-3,6-diene
SMILESC=CCC(C=CCC)(C=CCC)C=CCC
InChIInChI=1S/C16H26/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h8-11,13-15H,4-7,12H2,1-3H3
InChIKeyVPTHMPQCMUSRRZ-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.45
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

(5E)-4-tert-butyl-4-methylocta-1,5-diene
CID 22133460
(E)-2,2-dimethylhex-3-ene
CID 5357261
3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene
CID 141167228
but-1-ene;(Z)-pent-2-ene
CID 156866422
pent-2-ene-1,1,1-triamine
CID 91102245
but-1-ene;dihydrofluoride
CID 175726295
but-1-ene;ethene
CID 19017343
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
2-but-1-enyl-2-iodopropanedinitrile
CID 71340813
1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene
CID 54506963
ethene;octa-1,5-diene
CID 175164046
butane;bis(but-1-ene)
CID 160596310

Frequently Asked Questions

What is the IUPAC name of 5-but-1-enyl-5-prop-2-enylnona-3,6-diene?
The IUPAC name of 5-but-1-enyl-5-prop-2-enylnona-3,6-diene (CID 173069698) is 5-but-1-enyl-5-prop-2-enylnona-3,6-diene.
What is the SMILES notation for 5-but-1-enyl-5-prop-2-enylnona-3,6-diene?
The canonical SMILES for 5-but-1-enyl-5-prop-2-enylnona-3,6-diene is C=CCC(C=CCC)(C=CCC)C=CCC.
What is the InChIKey of 5-but-1-enyl-5-prop-2-enylnona-3,6-diene?
The InChIKey is VPTHMPQCMUSRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h8-11,13-15H,4-7,12H2,1-3H3.
What are the key properties of 5-but-1-enyl-5-prop-2-enylnona-3,6-diene?
5-but-1-enyl-5-prop-2-enylnona-3,6-diene has a molecular weight of 218.38 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-1-enyl-5-prop-2-enylnona-3,6-diene is sourced from PubChem (CID 173069698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).