(4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene

C72H140 — CID 158294604

IUPAC(4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene
SMILESC=CC/C=C/C/C=C/CCCCCCCC(C)C.CCC/C=C/C/C=C/CCCCCCCC(C)C.CCCCCC/C=C/CCCCCCCC(C)C.CCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C18H38.C18H36.C18H34.C18H32/c4*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3;9-10,18H,4-8,11-17H2,1-3H3;6-7,9-10,18H,4-5,8,11-17H2,1-3H3;4,6-7,9-10,18H,1,5,8,11-17H2,2-3H3/b;10-9+;2*7-6+,10-9+
InChIKeyGLTHNYDJJBYCMZ-JOYMMWKXSA-N
MW1005.91 g/mol
LogP27.15
Rot. Bonds51

About (4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene

(4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene (PubChem CID 158294604) has the molecular formula C72H140 and a molecular weight of 1005.91 g/mol. Its IUPAC name is (4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene.

Molecular Properties

Compound Name(4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene
PubChem CID158294604
Molecular FormulaC72H140
Molecular Weight1005.91 g/mol
Exact Mass1005.10
IUPAC Name(4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene
SMILESC=CC/C=C/C/C=C/CCCCCCCC(C)C.CCC/C=C/C/C=C/CCCCCCCC(C)C.CCCCCC/C=C/CCCCCCCC(C)C.CCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C18H38.C18H36.C18H34.C18H32/c4*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3;9-10,18H,4-8,11-17H2,1-3H3;6-7,9-10,18H,4-5,8,11-17H2,1-3H3;4,6-7,9-10,18H,1,5,8,11-17H2,2-3H3/b;10-9+;2*7-6+,10-9+
InChIKeyGLTHNYDJJBYCMZ-JOYMMWKXSA-N
XLogP27.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds51
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.91
LogP ≤ 527.15
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'}

Analyze (4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene with MolForge

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Related Compounds

2-methylhenicos-9-ene
CID 54211724
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-8-ene
CID 20541049
(4Z)-dodeca-1,4-diene
CID 12525542
pentadeca-1,4,8-triene
CID 174048494
hexadeca-1,4,8-triene
CID 174048525
pentadeca-1,4,9-triene
CID 174048539
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
(5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene
CID 173133183
(10Z,13Z)-nonadeca-1,10,13-triene
CID 11832238
docosa-4,7,11-triene
CID 141035180

Frequently Asked Questions

What is the IUPAC name of (4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene?
The IUPAC name of (4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene (CID 158294604) is (4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene.
What is the SMILES notation for (4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene?
The canonical SMILES for (4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene is C=CC/C=C/C/C=C/CCCCCCCC(C)C.CCC/C=C/C/C=C/CCCCCCCC(C)C.CCCCCC/C=C/CCCCCCCC(C)C.CCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of (4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene?
The InChIKey is GLTHNYDJJBYCMZ-JOYMMWKXSA-N. The full InChI is InChI=1S/C18H38.C18H36.C18H34.C18H32/c4*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3;9-10,18H,4-8,11-17H2,1-3H3;6-7,9-10,18H,4-5,8,11-17H2,1-3H3;4,6-7,9-10,18H,1,5,8,11-17H2,2-3H3/b;10-9+;2*7-6+,10-9+.
What are the key properties of (4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene?
(4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene has a molecular weight of 1005.91 g/mol, XLogP of 27.15, 51 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7E)-16-methylheptadeca-4,7-diene;2-methylheptadecane;(4E,7E)-16-methylheptadeca-1,4,7-triene;(E)-16-methylheptadec-7-ene is sourced from PubChem (CID 158294604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).