(7-methyl-3-methylideneoct-6-enyl) formate

C11H18O2 — CID 6430743

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

About (7-methyl-3-methylideneoct-6-enyl) formate

(7-methyl-3-methylideneoct-6-enyl) formate (PubChem CID 6430743) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (7-methyl-3-methylideneoct-6-enyl) formate.

Molecular Properties

Compound Name(7-methyl-3-methylideneoct-6-enyl) formate
PubChem CID6430743
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(7-methyl-3-methylideneoct-6-enyl) formate
SMILESC=C(CCC=C(C)C)CCOC=O
InChIInChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9H,3-4,6-8H2,1-2H3
InChIKeyOHQYHMHWNJADLT-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-3-methylideneoct-6-enyl) formate?
The IUPAC name of (7-methyl-3-methylideneoct-6-enyl) formate (CID 6430743) is (7-methyl-3-methylideneoct-6-enyl) formate.
What is the SMILES notation for (7-methyl-3-methylideneoct-6-enyl) formate?
The canonical SMILES for (7-methyl-3-methylideneoct-6-enyl) formate is C=C(CCC=C(C)C)CCOC=O.
What is the InChIKey of (7-methyl-3-methylideneoct-6-enyl) formate?
The InChIKey is OHQYHMHWNJADLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9H,3-4,6-8H2,1-2H3.
What are the key properties of (7-methyl-3-methylideneoct-6-enyl) formate?
(7-methyl-3-methylideneoct-6-enyl) 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 (7-methyl-3-methylideneoct-6-enyl) formate is sourced from PubChem (CID 6430743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).