hexadeca-1,10-diene

C16H30 — CID 56606054

IUPAChexadeca-1,10-diene
SMILESC=CCCCCCCCC=CCCCCC
InChIInChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,12,14H,1,4-11,13,15-16H2,2H3
InChIKeyGOFKZORNYJREEF-UHFFFAOYSA-N
MW222.42 g/mol
LogP6.04
Rot. Bonds12

About hexadeca-1,10-diene

hexadeca-1,10-diene (PubChem CID 56606054) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is hexadeca-1,10-diene.

Molecular Properties

Compound Namehexadeca-1,10-diene
PubChem CID56606054
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Namehexadeca-1,10-diene
SMILESC=CCCCCCCCC=CCCCCC
InChIInChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,12,14H,1,4-11,13,15-16H2,2H3
InChIKeyGOFKZORNYJREEF-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 56.04
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

triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
heptadeca-1,7-diene
CID 57204265
(10E)-hexadeca-1,10-diene
CID 156743041
(18Z)-heptacosa-1,18-diene
CID 14841085
(7E)-heptadeca-1,7-diene
CID 19050683
hexadec-6-ene;hex-1-ene
CID 158850904
tricosa-1,6-diene
CID 175196703
nonacosa-1,7,9,21-tetraene
CID 175853197

Frequently Asked Questions

What is the IUPAC name of hexadeca-1,10-diene?
The IUPAC name of hexadeca-1,10-diene (CID 56606054) is hexadeca-1,10-diene.
What is the SMILES notation for hexadeca-1,10-diene?
The canonical SMILES for hexadeca-1,10-diene is C=CCCCCCCCC=CCCCCC.
What is the InChIKey of hexadeca-1,10-diene?
The InChIKey is GOFKZORNYJREEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,12,14H,1,4-11,13,15-16H2,2H3.
What are the key properties of hexadeca-1,10-diene?
hexadeca-1,10-diene has a molecular weight of 222.42 g/mol, XLogP of 6.04, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-1,10-diene is sourced from PubChem (CID 56606054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).