[(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate

C15H28O3 — CID 14368742

IUPAC[(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate
SMILESCOC(=O)O[C@H](C)/C=C/C[C@H](C)CCCC(C)C
InChIInChI=1S/C15H28O3/c1-12(2)8-6-9-13(3)10-7-11-14(4)18-15(16)17-5/h7,11-14H,6,8-10H2,1-5H3/b11-7+/t13-,14-/m1/s1
InChIKeyUFINCDUBADRJJA-VAZNYKRKSA-N
MW256.39 g/mol
LogP4.57
Rot. Bonds8

About [(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate

[(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate (PubChem CID 14368742) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is [(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate.

Molecular Properties

Compound Name[(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate
PubChem CID14368742
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name[(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate
SMILESCOC(=O)O[C@H](C)/C=C/C[C@H](C)CCCC(C)C
InChIInChI=1S/C15H28O3/c1-12(2)8-6-9-13(3)10-7-11-14(4)18-15(16)17-5/h7,11-14H,6,8-10H2,1-5H3/b11-7+/t13-,14-/m1/s1
InChIKeyUFINCDUBADRJJA-VAZNYKRKSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate
CID 54562793
(6R)-6,10-dimethylundec-3-en-2-ol
CID 54275646
methyl [(E)-oct-3-en-2-yl] carbonate
CID 14170336
(E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide
CID 22796786
propan-2-yl (7S)-2-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 123654534
2,6,10,15,19,23-hexamethyltetracos-12-ene
CID 154734430
7,11-dimethyldodeca-2,4-dienamide
CID 54142577
[(E)-6-methylhept-3-en-2-yl] acetate
CID 135085622
6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate
CID 86138659
prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate
CID 54552604
(2E)-3,7,11-trimethyldodeca-2,4-diene
CID 175358855
(4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene
CID 163201260

Frequently Asked Questions

What is the IUPAC name of [(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate?
The IUPAC name of [(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate (CID 14368742) is [(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate.
What is the SMILES notation for [(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate?
The canonical SMILES for [(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate is COC(=O)O[C@H](C)/C=C/C[C@H](C)CCCC(C)C.
What is the InChIKey of [(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate?
The InChIKey is UFINCDUBADRJJA-VAZNYKRKSA-N. The full InChI is InChI=1S/C15H28O3/c1-12(2)8-6-9-13(3)10-7-11-14(4)18-15(16)17-5/h7,11-14H,6,8-10H2,1-5H3/b11-7+/t13-,14-/m1/s1.
What are the key properties of [(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate?
[(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate has a molecular weight of 256.39 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate is sourced from PubChem (CID 14368742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).