13,14-dimethylnonadeca-1,10-diene

C21H40 — CID 123270999

IUPAC13,14-dimethylnonadeca-1,10-diene
SMILESC=CCCCCCCCC=CCC(C)C(C)CCCCC
InChIInChI=1S/C21H40/c1-5-7-9-10-11-12-13-14-15-17-19-21(4)20(3)18-16-8-6-2/h5,15,17,20-21H,1,6-14,16,18-19H2,2-4H3
InChIKeyOOYSXSOQIBCMRI-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.70
Rot. Bonds15

About 13,14-dimethylnonadeca-1,10-diene

13,14-dimethylnonadeca-1,10-diene (PubChem CID 123270999) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 13,14-dimethylnonadeca-1,10-diene.

Molecular Properties

Compound Name13,14-dimethylnonadeca-1,10-diene
PubChem CID123270999
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name13,14-dimethylnonadeca-1,10-diene
SMILESC=CCCCCCCCC=CCC(C)C(C)CCCCC
InChIInChI=1S/C21H40/c1-5-7-9-10-11-12-13-14-15-17-19-21(4)20(3)18-16-8-6-2/h5,15,17,20-21H,1,6-14,16,18-19H2,2-4H3
InChIKeyOOYSXSOQIBCMRI-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.70
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
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
(18Z)-heptacosa-1,18-diene
CID 14841085
(7E)-heptadeca-1,7-diene
CID 19050683
(9E)-nonadeca-9,18-diene-6,7-diol
CID 20847648
hexadec-6-ene;hex-1-ene
CID 158850904

Frequently Asked Questions

What is the IUPAC name of 13,14-dimethylnonadeca-1,10-diene?
The IUPAC name of 13,14-dimethylnonadeca-1,10-diene (CID 123270999) is 13,14-dimethylnonadeca-1,10-diene.
What is the SMILES notation for 13,14-dimethylnonadeca-1,10-diene?
The canonical SMILES for 13,14-dimethylnonadeca-1,10-diene is C=CCCCCCCCC=CCC(C)C(C)CCCCC.
What is the InChIKey of 13,14-dimethylnonadeca-1,10-diene?
The InChIKey is OOYSXSOQIBCMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-5-7-9-10-11-12-13-14-15-17-19-21(4)20(3)18-16-8-6-2/h5,15,17,20-21H,1,6-14,16,18-19H2,2-4H3.
What are the key properties of 13,14-dimethylnonadeca-1,10-diene?
13,14-dimethylnonadeca-1,10-diene has a molecular weight of 292.55 g/mol, XLogP of 7.70, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13,14-dimethylnonadeca-1,10-diene is sourced from PubChem (CID 123270999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).