8-methylnona-6,7-dien-3-yl acetate

C12H20O2 — CID 70678378

IUPAC8-methylnona-6,7-dien-3-yl acetate
SMILESCCC(CCC=C=C(C)C)OC(C)=O
InChIInChI=1S/C12H20O2/c1-5-12(14-11(4)13)9-7-6-8-10(2)3/h6,12H,5,7,9H2,1-4H3
InChIKeyMMCLPTPJMANWQY-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.23
Rot. Bonds5

About 8-methylnona-6,7-dien-3-yl acetate

8-methylnona-6,7-dien-3-yl acetate (PubChem CID 70678378) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 8-methylnona-6,7-dien-3-yl acetate.

Molecular Properties

Compound Name8-methylnona-6,7-dien-3-yl acetate
PubChem CID70678378
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name8-methylnona-6,7-dien-3-yl acetate
SMILESCCC(CCC=C=C(C)C)OC(C)=O
InChIInChI=1S/C12H20O2/c1-5-12(14-11(4)13)9-7-6-8-10(2)3/h6,12H,5,7,9H2,1-4H3
InChIKeyMMCLPTPJMANWQY-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-5-hepten-2-yl acetate
CID 87947
1,3-Dimethyl-3-butenyl 2-methylpropionate
CID 3018907
6,10-Dimethylundeca-5,9-dien-2-yl acetate
CID 76722
(E)-6,10-Dimethylundeca-5,9-dien-2-yl acetate
CID 5752319
5,9-Undecadien-2-ol, 6,10-dimethyl-, acetate, (Z)-
CID 6436925
6-Hepten-2-ol, 6-methyl-, 2-acetate
CID 162294
2,6-Dimethyl-1,6-heptadien-4-ol acetate
CID 144382
(e)-7-Methyl-6-nonen-3-yl acetate
CID 10397840
Qrzwifridcaack-zjnqmxkesa-
CID 14503602
4-Penten-2-ol, 4-methyl-, 2-acetate
CID 106870
Ethyl 5-methylnona-3,4-dienoate
CID 14691755
Ethyl 2,2,5-trimethylnona-3,4-dienoate
CID 15681080

Frequently Asked Questions

What is the IUPAC name of 8-methylnona-6,7-dien-3-yl acetate?
The IUPAC name of 8-methylnona-6,7-dien-3-yl acetate (CID 70678378) is 8-methylnona-6,7-dien-3-yl acetate.
What is the SMILES notation for 8-methylnona-6,7-dien-3-yl acetate?
The canonical SMILES for 8-methylnona-6,7-dien-3-yl acetate is CCC(CCC=C=C(C)C)OC(C)=O.
What is the InChIKey of 8-methylnona-6,7-dien-3-yl acetate?
The InChIKey is MMCLPTPJMANWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-5-12(14-11(4)13)9-7-6-8-10(2)3/h6,12H,5,7,9H2,1-4H3.
What are the key properties of 8-methylnona-6,7-dien-3-yl acetate?
8-methylnona-6,7-dien-3-yl acetate has a molecular weight of 196.29 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnona-6,7-dien-3-yl acetate is sourced from PubChem (CID 70678378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).