pentadeca-3,6,9-trienylidenecyclopropane

C18H28 — CID 54120383

IUPACpentadeca-3,6,9-trienylidenecyclopropane
SMILESCCCCCC=CCC=CCC=CCC=C1CC1
InChIInChI=1S/C18H28/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17-18/h6-7,9-10,12-13,15H,2-5,8,11,14,16-17H2,1H3
InChIKeyNNGZZUSTJZMFKD-UHFFFAOYSA-N
MW244.42 g/mol
LogP6.13
Rot. Bonds10

About pentadeca-3,6,9-trienylidenecyclopropane

pentadeca-3,6,9-trienylidenecyclopropane (PubChem CID 54120383) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is pentadeca-3,6,9-trienylidenecyclopropane.

Molecular Properties

Compound Namepentadeca-3,6,9-trienylidenecyclopropane
PubChem CID54120383
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Namepentadeca-3,6,9-trienylidenecyclopropane
SMILESCCCCCC=CCC=CCC=CCC=C1CC1
InChIInChI=1S/C18H28/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17-18/h6-7,9-10,12-13,15H,2-5,8,11,14,16-17H2,1H3
InChIKeyNNGZZUSTJZMFKD-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
heptadeca-5,8,11-triene
CID 54101473
heptadecylidenecyclopropane
CID 19760704
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
docosa-4,7,11-triene
CID 141035180
hexadeca-3,6,9-triene
CID 56627141
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
henicosa-3,6-diene
CID 72727393

Frequently Asked Questions

What is the IUPAC name of pentadeca-3,6,9-trienylidenecyclopropane?
The IUPAC name of pentadeca-3,6,9-trienylidenecyclopropane (CID 54120383) is pentadeca-3,6,9-trienylidenecyclopropane.
What is the SMILES notation for pentadeca-3,6,9-trienylidenecyclopropane?
The canonical SMILES for pentadeca-3,6,9-trienylidenecyclopropane is CCCCCC=CCC=CCC=CCC=C1CC1.
What is the InChIKey of pentadeca-3,6,9-trienylidenecyclopropane?
The InChIKey is NNGZZUSTJZMFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17-18/h6-7,9-10,12-13,15H,2-5,8,11,14,16-17H2,1H3.
What are the key properties of pentadeca-3,6,9-trienylidenecyclopropane?
pentadeca-3,6,9-trienylidenecyclopropane has a molecular weight of 244.42 g/mol, XLogP of 6.13, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-3,6,9-trienylidenecyclopropane is sourced from PubChem (CID 54120383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).