[(2S)-7-methylocta-5,6-dien-2-yl] acetate

C11H18O2 — CID 102448577

IUPAC[(2S)-7-methylocta-5,6-dien-2-yl] acetate
SMILESCC(=O)O[C@@H](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/t10-/m0/s1
InChIKeyVVHFIEUPWMFUOI-JTQLQIEISA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds4

About [(2S)-7-methylocta-5,6-dien-2-yl] acetate

[(2S)-7-methylocta-5,6-dien-2-yl] acetate (PubChem CID 102448577) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(2S)-7-methylocta-5,6-dien-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-7-methylocta-5,6-dien-2-yl] acetate
PubChem CID102448577
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(2S)-7-methylocta-5,6-dien-2-yl] acetate
SMILESCC(=O)O[C@@H](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/t10-/m0/s1
InChIKeyVVHFIEUPWMFUOI-JTQLQIEISA-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 [(2S)-7-methylocta-5,6-dien-2-yl] acetate?
The IUPAC name of [(2S)-7-methylocta-5,6-dien-2-yl] acetate (CID 102448577) is [(2S)-7-methylocta-5,6-dien-2-yl] acetate.
What is the SMILES notation for [(2S)-7-methylocta-5,6-dien-2-yl] acetate?
The canonical SMILES for [(2S)-7-methylocta-5,6-dien-2-yl] acetate is CC(=O)O[C@@H](C)CCC=C=C(C)C.
What is the InChIKey of [(2S)-7-methylocta-5,6-dien-2-yl] acetate?
The InChIKey is VVHFIEUPWMFUOI-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of [(2S)-7-methylocta-5,6-dien-2-yl] acetate?
[(2S)-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 [(2S)-7-methylocta-5,6-dien-2-yl] acetate is sourced from PubChem (CID 102448577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).