(7Z,9E)-2-methyloctadeca-7,9-diene

C19H36 — CID 56936099

IUPAC(7Z,9E)-2-methyloctadeca-7,9-diene
SMILESCCCCCCCC/C=C/C=C\CCCCC(C)C
InChIInChI=1S/C19H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h11-14,19H,4-10,15-18H2,1-3H3/b12-11+,14-13-
InChIKeyRFMGIWIKGFYQFJ-WCYNZMGESA-N
MW264.50 g/mol
LogP7.07
Rot. Bonds13

About (7Z,9E)-2-methyloctadeca-7,9-diene

(7Z,9E)-2-methyloctadeca-7,9-diene (PubChem CID 56936099) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is (7Z,9E)-2-methyloctadeca-7,9-diene.

Molecular Properties

Compound Name(7Z,9E)-2-methyloctadeca-7,9-diene
PubChem CID56936099
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name(7Z,9E)-2-methyloctadeca-7,9-diene
SMILESCCCCCCCC/C=C/C=C\CCCCC(C)C
InChIInChI=1S/C19H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h11-14,19H,4-10,15-18H2,1-3H3/b12-11+,14-13-
InChIKeyRFMGIWIKGFYQFJ-WCYNZMGESA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Sesquiphellandrene
CID 519764
beta-Sesquiphellandrene
CID 12315492
(+)-beta-Sesquiphellandrene
CID 11106487
Npc44581
CID 11747713
Isoneocembrene A
CID 6521442
Terpinene
CID 92234
2,6,10,15,19,23-Hexamethyltetracosene
CID 6437646
2-[(1E,3Z,5E,9Z,11E,13E,15E,17Z,19Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,9,11,13,15,17,19,23-decaenyl]-1,3,3-trimethylcyclohexene
CID 131751816
1,2-Dihydroneurosporene
CID 5496946
3,7,11,15-Tetramethyl-2-hexadecene
CID 5366161
Cembrene
CID 6430770
1,3,6,9-Nonadecatetraene, (3Z,6Z,9Z)-
CID 6440707

Frequently Asked Questions

What is the IUPAC name of (7Z,9E)-2-methyloctadeca-7,9-diene?
The IUPAC name of (7Z,9E)-2-methyloctadeca-7,9-diene (CID 56936099) is (7Z,9E)-2-methyloctadeca-7,9-diene.
What is the SMILES notation for (7Z,9E)-2-methyloctadeca-7,9-diene?
The canonical SMILES for (7Z,9E)-2-methyloctadeca-7,9-diene is CCCCCCCC/C=C/C=C\CCCCC(C)C.
What is the InChIKey of (7Z,9E)-2-methyloctadeca-7,9-diene?
The InChIKey is RFMGIWIKGFYQFJ-WCYNZMGESA-N. The full InChI is InChI=1S/C19H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h11-14,19H,4-10,15-18H2,1-3H3/b12-11+,14-13-.
What are the key properties of (7Z,9E)-2-methyloctadeca-7,9-diene?
(7Z,9E)-2-methyloctadeca-7,9-diene has a molecular weight of 264.50 g/mol, XLogP of 7.07, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9E)-2-methyloctadeca-7,9-diene is sourced from PubChem (CID 56936099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).