methyl oct-1-en-3-yl carbonate

C10H18O3 — CID 13355103

IUPACmethyl oct-1-en-3-yl carbonate
SMILESC=CC(CCCCC)OC(=O)OC
InChIInChI=1S/C10H18O3/c1-4-6-7-8-9(5-2)13-10(11)12-3/h5,9H,2,4,6-8H2,1,3H3
InChIKeyHZRJEXYAHMPECV-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.90
Rot. Bonds6

About methyl oct-1-en-3-yl carbonate

methyl oct-1-en-3-yl carbonate (PubChem CID 13355103) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl oct-1-en-3-yl carbonate.

Molecular Properties

Compound Namemethyl oct-1-en-3-yl carbonate
PubChem CID13355103
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl oct-1-en-3-yl carbonate
SMILESC=CC(CCCCC)OC(=O)OC
InChIInChI=1S/C10H18O3/c1-4-6-7-8-9(5-2)13-10(11)12-3/h5,9H,2,4,6-8H2,1,3H3
InChIKeyHZRJEXYAHMPECV-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Octen-3-yl acetate
CID 17121
1-Octen-3-YL propionate
CID 545739
(3R)-1-Octen-3-yl acetate
CID 11019298
Cyclohept-2-enyl methyl carbonate
CID 11378741
Hex-1-en-3-yl methyl carbonate
CID 13023578
[(2Z)-cyclooct-2-en-1-yl] methyl carbonate
CID 15550934
Hept-1-en-3-yl methyl carbonate
CID 14170338
(S)-3-acetoxy-1-octene
CID 22805587
Tert-butyl oct-1-en-3-yl carbonate
CID 87989403
3-(Ethoxymethoxy)oct-1-ene
CID 88003605
Methyl non-1-en-3-yl carbonate
CID 102291111
1-Hexylallyl formate
CID 3020028

Frequently Asked Questions

What is the IUPAC name of methyl oct-1-en-3-yl carbonate?
The IUPAC name of methyl oct-1-en-3-yl carbonate (CID 13355103) is methyl oct-1-en-3-yl carbonate.
What is the SMILES notation for methyl oct-1-en-3-yl carbonate?
The canonical SMILES for methyl oct-1-en-3-yl carbonate is C=CC(CCCCC)OC(=O)OC.
What is the InChIKey of methyl oct-1-en-3-yl carbonate?
The InChIKey is HZRJEXYAHMPECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-6-7-8-9(5-2)13-10(11)12-3/h5,9H,2,4,6-8H2,1,3H3.
What are the key properties of methyl oct-1-en-3-yl carbonate?
methyl oct-1-en-3-yl carbonate has a molecular weight of 186.25 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl oct-1-en-3-yl carbonate is sourced from PubChem (CID 13355103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).