9-methylideneicosa-1,19-diene

C21H38 — CID 173334659

IUPAC9-methylideneicosa-1,19-diene
SMILESC=CCCCCCCCCCC(=C)CCCCCCC=C
InChIInChI=1S/C21H38/c1-4-6-8-10-12-13-14-16-18-20-21(3)19-17-15-11-9-7-5-2/h4-5H,1-3,6-20H2
InChIKeyDEVJDUQORIKZDC-UHFFFAOYSA-N
MW290.54 g/mol
LogP7.77
Rot. Bonds17

About 9-methylideneicosa-1,19-diene

9-methylideneicosa-1,19-diene (PubChem CID 173334659) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is 9-methylideneicosa-1,19-diene.

Molecular Properties

Compound Name9-methylideneicosa-1,19-diene
PubChem CID173334659
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name9-methylideneicosa-1,19-diene
SMILESC=CCCCCCCCCCC(=C)CCCCCCC=C
InChIInChI=1S/C21H38/c1-4-6-8-10-12-13-14-16-18-20-21(3)19-17-15-11-9-7-5-2/h4-5H,1-3,6-20H2
InChIKeyDEVJDUQORIKZDC-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 57.77
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

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3,8-dimethylidenetetradecane;bis(oct-1-ene)
CID 173443691
heptacosa-1,26-diene
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heptadeca-1,16-diene
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tricosa-1,22-dien-12-one
CID 86210796
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CID 54063641
nonadec-18-enamide
CID 166991988
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
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Frequently Asked Questions

What is the IUPAC name of 9-methylideneicosa-1,19-diene?
The IUPAC name of 9-methylideneicosa-1,19-diene (CID 173334659) is 9-methylideneicosa-1,19-diene.
What is the SMILES notation for 9-methylideneicosa-1,19-diene?
The canonical SMILES for 9-methylideneicosa-1,19-diene is C=CCCCCCCCCCC(=C)CCCCCCC=C.
What is the InChIKey of 9-methylideneicosa-1,19-diene?
The InChIKey is DEVJDUQORIKZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-4-6-8-10-12-13-14-16-18-20-21(3)19-17-15-11-9-7-5-2/h4-5H,1-3,6-20H2.
What are the key properties of 9-methylideneicosa-1,19-diene?
9-methylideneicosa-1,19-diene has a molecular weight of 290.54 g/mol, XLogP of 7.77, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylideneicosa-1,19-diene is sourced from PubChem (CID 173334659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).