7-methylocta-5,6-dien-2-yl acetate

C11H18O2 — CID 70678387

IUPAC7-methylocta-5,6-dien-2-yl acetate
SMILESCC(=O)OC(C)CCC=C=C(C)C
InChIInChI=1S/C11H18O2/c1-9(2)7-5-6-8-10(3)13-11(4)12/h5,10H,6,8H2,1-4H3
InChIKeyVVHFIEUPWMFUOI-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds4

About 7-methylocta-5,6-dien-2-yl acetate

7-methylocta-5,6-dien-2-yl acetate (PubChem CID 70678387) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 7-methylocta-5,6-dien-2-yl acetate.

Molecular Properties

Compound Name7-methylocta-5,6-dien-2-yl acetate
PubChem CID70678387
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name7-methylocta-5,6-dien-2-yl acetate
SMILESCC(=O)OC(C)CCC=C=C(C)C
InChIInChI=1S/C11H18O2/c1-9(2)7-5-6-8-10(3)13-11(4)12/h5,10H,6,8H2,1-4H3
InChIKeyVVHFIEUPWMFUOI-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.84
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
(4E)-5,9-dimethyldeca-4,8-dien-1-yl acetate
CID 1747601
Ethyl 5-methylnona-3,4-dienoate
CID 14691755

Frequently Asked Questions

What is the IUPAC name of 7-methylocta-5,6-dien-2-yl acetate?
The IUPAC name of 7-methylocta-5,6-dien-2-yl acetate (CID 70678387) is 7-methylocta-5,6-dien-2-yl acetate.
What is the SMILES notation for 7-methylocta-5,6-dien-2-yl acetate?
The canonical SMILES for 7-methylocta-5,6-dien-2-yl acetate is CC(=O)OC(C)CCC=C=C(C)C.
What is the InChIKey of 7-methylocta-5,6-dien-2-yl acetate?
The InChIKey is VVHFIEUPWMFUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)7-5-6-8-10(3)13-11(4)12/h5,10H,6,8H2,1-4H3.
What are the key properties of 7-methylocta-5,6-dien-2-yl acetate?
7-methylocta-5,6-dien-2-yl acetate has a molecular weight of 182.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylocta-5,6-dien-2-yl acetate is sourced from PubChem (CID 70678387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).