[(2E)-6-methylhepta-2,5-dien-2-yl] acetate

C10H16O2 — CID 15624049

IUPAC[(2E)-6-methylhepta-2,5-dien-2-yl] acetate
SMILESCC(=O)O/C(C)=C/CC=C(C)C
InChIInChI=1S/C10H16O2/c1-8(2)6-5-7-9(3)12-10(4)11/h6-7H,5H2,1-4H3/b9-7+
InChIKeyUQSCPFYWCUSZFQ-VQHVLOKHSA-N
MW168.24 g/mol
LogP2.81
Rot. Bonds3

About [(2E)-6-methylhepta-2,5-dien-2-yl] acetate

[(2E)-6-methylhepta-2,5-dien-2-yl] acetate (PubChem CID 15624049) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(2E)-6-methylhepta-2,5-dien-2-yl] acetate.

Molecular Properties

Compound Name[(2E)-6-methylhepta-2,5-dien-2-yl] acetate
PubChem CID15624049
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(2E)-6-methylhepta-2,5-dien-2-yl] acetate
SMILESCC(=O)O/C(C)=C/CC=C(C)C
InChIInChI=1S/C10H16O2/c1-8(2)6-5-7-9(3)12-10(4)11/h6-7H,5H2,1-4H3/b9-7+
InChIKeyUQSCPFYWCUSZFQ-VQHVLOKHSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Octene-2-ol acetate
CID 91433455
[(E)-hept-2-en-2-yl] acetate
CID 13030315
tert-butyl (2S)-2,4-dimethylpent-3-enoate
CID 176426759
[(Z)-pent-2-en-3-yl] acetate
CID 5314074
3-Acetoxy-3-hexene
CID 57121662
Dimethyloctadienol acetate
CID 91381235
4-Hexadienyl acetate
CID 129866611
[(E)-hex-3-en-3-yl] acetate
CID 15571040
(1-Fluoro-5-methylhex-3-en-3-yl) propanoate
CID 174366426
[(2E,4S)-4,8-dimethylnona-2,7-dien-2-yl] acetate
CID 11435767
tert-Butyl 4-methylpent-3-enoate
CID 71382991
[(E)-oct-2-en-2-yl] acetate
CID 87754322

Frequently Asked Questions

What is the IUPAC name of [(2E)-6-methylhepta-2,5-dien-2-yl] acetate?
The IUPAC name of [(2E)-6-methylhepta-2,5-dien-2-yl] acetate (CID 15624049) is [(2E)-6-methylhepta-2,5-dien-2-yl] acetate.
What is the SMILES notation for [(2E)-6-methylhepta-2,5-dien-2-yl] acetate?
The canonical SMILES for [(2E)-6-methylhepta-2,5-dien-2-yl] acetate is CC(=O)O/C(C)=C/CC=C(C)C.
What is the InChIKey of [(2E)-6-methylhepta-2,5-dien-2-yl] acetate?
The InChIKey is UQSCPFYWCUSZFQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)6-5-7-9(3)12-10(4)11/h6-7H,5H2,1-4H3/b9-7+.
What are the key properties of [(2E)-6-methylhepta-2,5-dien-2-yl] acetate?
[(2E)-6-methylhepta-2,5-dien-2-yl] acetate has a molecular weight of 168.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-6-methylhepta-2,5-dien-2-yl] acetate is sourced from PubChem (CID 15624049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).