(5-methyl-3-methylidenehept-6-enyl) acetate

C11H18O2 — CID 134993736

IUPAC(5-methyl-3-methylidenehept-6-enyl) acetate
SMILESC=CC(C)CC(=C)CCOC(C)=O
InChIInChI=1S/C11H18O2/c1-5-9(2)8-10(3)6-7-13-11(4)12/h5,9H,1,3,6-8H2,2,4H3
InChIKeyHMCAAAALWWZEHP-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.71
Rot. Bonds6

About (5-methyl-3-methylidenehept-6-enyl) acetate

(5-methyl-3-methylidenehept-6-enyl) acetate (PubChem CID 134993736) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (5-methyl-3-methylidenehept-6-enyl) acetate.

Molecular Properties

Compound Name(5-methyl-3-methylidenehept-6-enyl) acetate
PubChem CID134993736
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(5-methyl-3-methylidenehept-6-enyl) acetate
SMILESC=CC(C)CC(=C)CCOC(C)=O
InChIInChI=1S/C11H18O2/c1-5-9(2)8-10(3)6-7-13-11(4)12/h5,9H,1,3,6-8H2,2,4H3
InChIKeyHMCAAAALWWZEHP-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.71
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

CID 9017
CID 9017
CID 6708682
CID 6708682
CID 6999975
CID 6999975
CID 57351134
CID 57351134
CID 14416698
CID 14416698
CID 12794026
CID 12794026
CID 68473642
CID 68473642
CID 68479074
CID 68479074
CID 109340
CID 109340
CID 5363308
CID 5363308
CID 12794024
CID 12794024
CID 12794025
CID 12794025

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-methylidenehept-6-enyl) acetate?
The IUPAC name of (5-methyl-3-methylidenehept-6-enyl) acetate (CID 134993736) is (5-methyl-3-methylidenehept-6-enyl) acetate.
What is the SMILES notation for (5-methyl-3-methylidenehept-6-enyl) acetate?
The canonical SMILES for (5-methyl-3-methylidenehept-6-enyl) acetate is C=CC(C)CC(=C)CCOC(C)=O.
What is the InChIKey of (5-methyl-3-methylidenehept-6-enyl) acetate?
The InChIKey is HMCAAAALWWZEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-9(2)8-10(3)6-7-13-11(4)12/h5,9H,1,3,6-8H2,2,4H3.
What are the key properties of (5-methyl-3-methylidenehept-6-enyl) acetate?
(5-methyl-3-methylidenehept-6-enyl) acetate has a molecular weight of 182.26 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-methylidenehept-6-enyl) acetate is sourced from PubChem (CID 134993736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).