(6-acetyloxy-3,7-dimethyloct-7-enyl) acetate

C14H24O4 — CID 14267230

IUPAC(6-acetyloxy-3,7-dimethyloct-7-enyl) acetate
SMILESC=C(C)C(CCC(C)CCOC(C)=O)OC(C)=O
InChIInChI=1S/C14H24O4/c1-10(2)14(18-13(5)16)7-6-11(3)8-9-17-12(4)15/h11,14H,1,6-9H2,2-5H3
InChIKeyWVDIEBTYJPZTPL-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.86
Rot. Bonds8

About (6-acetyloxy-3,7-dimethyloct-7-enyl) acetate

(6-acetyloxy-3,7-dimethyloct-7-enyl) acetate (PubChem CID 14267230) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (6-acetyloxy-3,7-dimethyloct-7-enyl) acetate.

Molecular Properties

Compound Name(6-acetyloxy-3,7-dimethyloct-7-enyl) acetate
PubChem CID14267230
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(6-acetyloxy-3,7-dimethyloct-7-enyl) acetate
SMILESC=C(C)C(CCC(C)CCOC(C)=O)OC(C)=O
InChIInChI=1S/C14H24O4/c1-10(2)14(18-13(5)16)7-6-11(3)8-9-17-12(4)15/h11,14H,1,6-9H2,2-5H3
InChIKeyWVDIEBTYJPZTPL-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethylocta-1,7-dien-3-yl acetate
CID 521972
[(6R)-3-methyl-6-prop-1-en-2-yldec-9-enyl] acetate
CID 10912022
[(3S,6S)-3-methyl-6-prop-1-en-2-yldec-9-enyl] acetate;[(3R,6S)-3-methyl-6-prop-1-en-2-yldec-9-enyl] acetate;[(3S,6R)-3-methyl-6-prop-1-en-2-yldec-9-enyl] acetate;[(3R,6R)-3-methyl-6-prop-1-en-2-yldec-9-enyl] acetate
CID 163528965
(6,7-dihydroxy-3,7-dimethyloctyl) acetate
CID 14733968
[(3S)-2-methylpent-1-en-3-yl] acetate
CID 129390449
[(2R)-1-bromo-3-methylbut-3-en-2-yl] acetate
CID 124704197
3-acetyloxypent-4-enyl acetate
CID 12815001
3-methylbutyl acetate;oxophosphanium
CID 159706016
[(3R,4E)-6-methyl-3-propan-2-ylhepta-4,6-dienyl] acetate
CID 45141058
[6-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-3,7-dimethyloct-7-enyl] acetate
CID 168720262
[(3R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-3-methylpentyl] acetate
CID 14470430
propan-2-yl (2S)-2-acetyloxy-5-methylhexanoate
CID 153499614

Frequently Asked Questions

What is the IUPAC name of (6-acetyloxy-3,7-dimethyloct-7-enyl) acetate?
The IUPAC name of (6-acetyloxy-3,7-dimethyloct-7-enyl) acetate (CID 14267230) is (6-acetyloxy-3,7-dimethyloct-7-enyl) acetate.
What is the SMILES notation for (6-acetyloxy-3,7-dimethyloct-7-enyl) acetate?
The canonical SMILES for (6-acetyloxy-3,7-dimethyloct-7-enyl) acetate is C=C(C)C(CCC(C)CCOC(C)=O)OC(C)=O.
What is the InChIKey of (6-acetyloxy-3,7-dimethyloct-7-enyl) acetate?
The InChIKey is WVDIEBTYJPZTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-10(2)14(18-13(5)16)7-6-11(3)8-9-17-12(4)15/h11,14H,1,6-9H2,2-5H3.
What are the key properties of (6-acetyloxy-3,7-dimethyloct-7-enyl) acetate?
(6-acetyloxy-3,7-dimethyloct-7-enyl) acetate has a molecular weight of 256.34 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyloxy-3,7-dimethyloct-7-enyl) acetate is sourced from PubChem (CID 14267230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).