[(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate

C10H16O3 — CID 102005455

IUPAC[(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1/C=C\CCCCC1
InChIInChI=1S/C10H16O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3/b7-5-/t9-/m1/s1
InChIKeyUYAHFNKTYXHSGW-WILPJHFFSA-N
MW184.23 g/mol
LogP2.66
Rot. Bonds1

About [(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate

[(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate (PubChem CID 102005455) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate
PubChem CID102005455
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1/C=C\CCCCC1
InChIInChI=1S/C10H16O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3/b7-5-/t9-/m1/s1
InChIKeyUYAHFNKTYXHSGW-WILPJHFFSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.66
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

Carbonic acid, 4-cycloocten-1-yl methyl ester
CID 5463762
Cyclooct-4-en-1-yl methyl carbonate
CID 54027559
Cyclohex-2-en-1-yl methyl carbonate
CID 11073660
[(2Z)-cyclooct-2-en-1-yl] methyl carbonate
CID 15550934
2-Cycloocten-1-YL acetate
CID 10997432
Cyclohex-2-en-1-yl ethyl carbonate
CID 11041142
Cyclohept-2-enyl methyl carbonate
CID 11378741
(1Z)-3-methoxycyclooctene
CID 12522564
Cyclododec-2-en-1-yl acetate
CID 12794161
Tert-butyl cyclohex-2-en-1-yl carbonate
CID 25128457
(2-Ethylcyclohexen-1-yl) prop-2-enyl carbonate
CID 45094946
methyl [(E)-non-5-en-4-yl] carbonate
CID 101081248

Frequently Asked Questions

What is the IUPAC name of [(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate?
The IUPAC name of [(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate (CID 102005455) is [(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate is COC(=O)O[C@@H]1/C=C\CCCCC1.
What is the InChIKey of [(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate?
The InChIKey is UYAHFNKTYXHSGW-WILPJHFFSA-N. The full InChI is InChI=1S/C10H16O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3/b7-5-/t9-/m1/s1.
What are the key properties of [(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate?
[(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate has a molecular weight of 184.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 102005455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).