2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate

C24H42O2 — CID 160665225

IUPAC2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate
SMILESC=C(C)CCCC(=C)CCC.C=C(C)CCCC(=C)CCOC(=O)CC
InChIInChI=1S/C13H22O2.C11H20/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3;1-5-7-11(4)9-6-8-10(2)3/h2,4-10H2,1,3H3;2,4-9H2,1,3H3
InChIKeyRMEYRUXASPJFIJ-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.72
Rot. Bonds14

About 2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate

2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate (PubChem CID 160665225) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate.

Molecular Properties

Compound Name2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate
PubChem CID160665225
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate
SMILESC=C(C)CCCC(=C)CCC.C=C(C)CCCC(=C)CCOC(=O)CC
InChIInChI=1S/C13H22O2.C11H20/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3;1-5-7-11(4)9-6-8-10(2)3/h2,4-10H2,1,3H3;2,4-9H2,1,3H3
InChIKeyRMEYRUXASPJFIJ-UHFFFAOYSA-N
XLogP7.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Decen-1-ol, 1-propanoate
CID 110365
13-Tetradecen-1-yl acetate
CID 521718
17-Octadecen-1-ol acetate
CID 536929
3-Methylenehexyl acetate
CID 14416698
3-Methyl-3-butenyl eicosanoate
CID 56936017
3-Methyl-3-butenyl docosanoate
CID 56936018
7-Methyl-3-methylene-7-octenyl propionate
CID 522484
3-Methyl-3-butenyl octadecanoate
CID 56936016
10-Undecenyl pivalate
CID 545304
10-Octylundec-10-enoic acid, methyl ester
CID 593519
3-Methylene-7-methyl-7-octenyl propionate
CID 56936012
3-Methyl-3-butenyl hexadecanoate
CID 56936015

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate?
The IUPAC name of 2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate (CID 160665225) is 2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate.
What is the SMILES notation for 2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate?
The canonical SMILES for 2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate is C=C(C)CCCC(=C)CCC.C=C(C)CCCC(=C)CCOC(=O)CC.
What is the InChIKey of 2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate?
The InChIKey is RMEYRUXASPJFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2.C11H20/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3;1-5-7-11(4)9-6-8-10(2)3/h2,4-10H2,1,3H3;2,4-9H2,1,3H3.
What are the key properties of 2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate?
2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate has a molecular weight of 362.60 g/mol, XLogP of 7.72, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate is sourced from PubChem (CID 160665225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).