(2-methyl-6-methylideneoct-7-en-2-yl) formate

C11H18O2 — CID 3018190

IUPAC(2-methyl-6-methylideneoct-7-en-2-yl) formate
SMILESC=CC(=C)CCCC(C)(C)OC=O
InChIInChI=1S/C11H18O2/c1-5-10(2)7-6-8-11(3,4)13-9-12/h5,9H,1-2,6-8H2,3-4H3
InChIKeyZIGSZAHSKNQFRB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds7

About (2-methyl-6-methylideneoct-7-en-2-yl) formate

(2-methyl-6-methylideneoct-7-en-2-yl) formate (PubChem CID 3018190) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2-methyl-6-methylideneoct-7-en-2-yl) formate.

Molecular Properties

Compound Name(2-methyl-6-methylideneoct-7-en-2-yl) formate
PubChem CID3018190
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2-methyl-6-methylideneoct-7-en-2-yl) formate
SMILESC=CC(=C)CCCC(C)(C)OC=O
InChIInChI=1S/C11H18O2/c1-5-10(2)7-6-8-11(3,4)13-9-12/h5,9H,1-2,6-8H2,3-4H3
InChIKeyZIGSZAHSKNQFRB-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-methylideneoct-7-en-2-yl) formate?
The IUPAC name of (2-methyl-6-methylideneoct-7-en-2-yl) formate (CID 3018190) is (2-methyl-6-methylideneoct-7-en-2-yl) formate.
What is the SMILES notation for (2-methyl-6-methylideneoct-7-en-2-yl) formate?
The canonical SMILES for (2-methyl-6-methylideneoct-7-en-2-yl) formate is C=CC(=C)CCCC(C)(C)OC=O.
What is the InChIKey of (2-methyl-6-methylideneoct-7-en-2-yl) formate?
The InChIKey is ZIGSZAHSKNQFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-10(2)7-6-8-11(3,4)13-9-12/h5,9H,1-2,6-8H2,3-4H3.
What are the key properties of (2-methyl-6-methylideneoct-7-en-2-yl) formate?
(2-methyl-6-methylideneoct-7-en-2-yl) formate has a molecular weight of 182.26 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-methylideneoct-7-en-2-yl) formate is sourced from PubChem (CID 3018190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).