[(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate

C14H20O2 — CID 51381222

IUPAC[(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate
SMILESO=C(OC[C@@H]1CC=CCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2/t12-,13-/m1/s1
InChIKeyFJPFRSQDAFMEKD-CHWSQXEVSA-N
MW220.31 g/mol
LogP3.24
Rot. Bonds3

About [(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate

[(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate (PubChem CID 51381222) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate
PubChem CID51381222
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate
SMILESO=C(OC[C@@H]1CC=CCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2/t12-,13-/m1/s1
InChIKeyFJPFRSQDAFMEKD-CHWSQXEVSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohex-3-en-1-ylmethyl cyclohexanecarboxylate
CID 66696550
cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612232
2-O-(cyclohex-3-en-1-ylmethyl) 1-O-pentyl cyclohexane-1,2-dicarboxylate
CID 91700489
2-O-(cyclohex-3-en-1-ylmethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate
CID 91700492
[2-(cyclohexylmethylamino)-2-oxoethyl] cyclohex-3-ene-1-carboxylate
CID 55313115
2-[3,5-bis[2-(cyclohex-3-ene-1-carbonyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl cyclohex-3-ene-1-carboxylate
CID 163876546
cyclohex-3-en-1-ylmethyl 2-isocyanoprop-2-enoate
CID 140768451
[2-(dicyclopropylmethylamino)-2-oxoethyl] cyclohex-3-ene-1-carboxylate
CID 55524534
cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate
CID 158577027
cyclohex-3-en-1-ylmethyl 2,2-dimethyl-3-methylsulfanylpropanoate
CID 119037854
cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 78780948
(4R)-4-(methoxymethyl)cyclohexene
CID 124567710

Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate (CID 51381222) is [(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate is O=C(OC[C@@H]1CC=CCC1)[C@@H]1CC=CCC1.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate?
The InChIKey is FJPFRSQDAFMEKD-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2/t12-,13-/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate?
[(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate has a molecular weight of 220.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 51381222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).