[(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate

C14H24O3 — CID 14917716

IUPAC[(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC[C@H](C)CCC=C(C)C
InChIInChI=1S/C14H24O3/c1-5-10-16-14(15)17-11-9-13(4)8-6-7-12(2)3/h5,7,13H,1,6,8-11H2,2-4H3/t13-/m1/s1
InChIKeyUBGDBBBCPGQQCZ-CYBMUJFWSA-N
MW240.34 g/mol
LogP4.10
Rot. Bonds8

About [(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate

[(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate (PubChem CID 14917716) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is [(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate
PubChem CID14917716
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name[(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC[C@H](C)CCC=C(C)C
InChIInChI=1S/C14H24O3/c1-5-10-16-14(15)17-11-9-13(4)8-6-7-12(2)3/h5,7,13H,1,6,8-11H2,2-4H3/t13-/m1/s1
InChIKeyUBGDBBBCPGQQCZ-CYBMUJFWSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 54.10
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

3,7-Dimethyloct-6-enyl ethyl carbonate
CID 15218281
(6-Methylcyclohexen-1-yl) prop-2-enyl carbonate
CID 12848611
Citronellyl acrylate
CID 21938748
3,7-Dimethyloct-6-enyl isobutyl carbonate
CID 91711734
Cyclohex-3-en-1-ylmethyl ethyl carbonate
CID 132214606
Cyclohex-3-en-1-ylmethyl 2-methylpropyl carbonate
CID 132214624
Cyclohex-3-en-1-ylmethyl prop-2-enyl carbonate
CID 132225780
Butyl cyclohex-3-en-1-ylmethyl carbonate
CID 132226128
Methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate
CID 11106628
[(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate
CID 11601019
Methyl (4-prop-1-en-2-ylcyclohexen-1-yl)methyl carbonate
CID 13763991
[(E)-3-cyclohexylprop-2-enyl] methyl carbonate
CID 44622942

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate?
The IUPAC name of [(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate (CID 14917716) is [(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate.
What is the SMILES notation for [(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate?
The canonical SMILES for [(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate is C=CCOC(=O)OCC[C@H](C)CCC=C(C)C.
What is the InChIKey of [(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate?
The InChIKey is UBGDBBBCPGQQCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-10-16-14(15)17-11-9-13(4)8-6-7-12(2)3/h5,7,13H,1,6,8-11H2,2-4H3/t13-/m1/s1.
What are the key properties of [(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate?
[(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate has a molecular weight of 240.34 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,7-dimethyloct-6-enyl] prop-2-enyl carbonate is sourced from PubChem (CID 14917716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).