5-pentan-2-ylidenedodeca-3,7-diene

C17H30 — CID 123891140

IUPAC5-pentan-2-ylidenedodeca-3,7-diene
SMILESCCC=CC(CC=CCCCC)=C(C)CCC
InChIInChI=1S/C17H30/c1-5-8-10-11-12-15-17(14-9-6-2)16(4)13-7-3/h9,11-12,14H,5-8,10,13,15H2,1-4H3
InChIKeyRMPXUIDKLRHNSM-UHFFFAOYSA-N
MW234.43 g/mol
LogP6.21
Rot. Bonds9

About 5-pentan-2-ylidenedodeca-3,7-diene

5-pentan-2-ylidenedodeca-3,7-diene (PubChem CID 123891140) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 5-pentan-2-ylidenedodeca-3,7-diene.

Molecular Properties

Compound Name5-pentan-2-ylidenedodeca-3,7-diene
PubChem CID123891140
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name5-pentan-2-ylidenedodeca-3,7-diene
SMILESCCC=CC(CC=CCCCC)=C(C)CCC
InChIInChI=1S/C17H30/c1-5-8-10-11-12-15-17(14-9-6-2)16(4)13-7-3/h9,11-12,14H,5-8,10,13,15H2,1-4H3
InChIKeyRMPXUIDKLRHNSM-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.21
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-propan-2-ylideneoct-3-ene
CID 171660172
dec-5-ene;trihydrobromide
CID 175802238
2-methylundeca-1,6-diene
CID 173154459
dec-5-en-2-one
CID 71363330
(E)-non-3-ene
CID 5364445
heptadeca-3,6,12-triene
CID 54220025
2-methylprop-2-enoic acid;oct-3-ene
CID 155128147
(E)-dec-4-en-2-one
CID 12955998
dodec-7-en-2-one
CID 123882998
(3E)-4-methyldeca-3,5-diene
CID 173452678
(Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid
CID 175781756
(Z)-tridec-3-ene
CID 5362711

Frequently Asked Questions

What is the IUPAC name of 5-pentan-2-ylidenedodeca-3,7-diene?
The IUPAC name of 5-pentan-2-ylidenedodeca-3,7-diene (CID 123891140) is 5-pentan-2-ylidenedodeca-3,7-diene.
What is the SMILES notation for 5-pentan-2-ylidenedodeca-3,7-diene?
The canonical SMILES for 5-pentan-2-ylidenedodeca-3,7-diene is CCC=CC(CC=CCCCC)=C(C)CCC.
What is the InChIKey of 5-pentan-2-ylidenedodeca-3,7-diene?
The InChIKey is RMPXUIDKLRHNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-5-8-10-11-12-15-17(14-9-6-2)16(4)13-7-3/h9,11-12,14H,5-8,10,13,15H2,1-4H3.
What are the key properties of 5-pentan-2-ylidenedodeca-3,7-diene?
5-pentan-2-ylidenedodeca-3,7-diene has a molecular weight of 234.43 g/mol, XLogP of 6.21, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-2-ylidenedodeca-3,7-diene is sourced from PubChem (CID 123891140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).