[(2E)-6-hydroxycyclooct-2-en-1-yl] formate

C9H14O3 — CID 155745296

IUPAC[(2E)-6-hydroxycyclooct-2-en-1-yl] formate
SMILESO=COC1/C=C\CCC(O)CC1
InChIInChI=1S/C9H14O3/c10-7-12-9-4-2-1-3-8(11)5-6-9/h2,4,7-9,11H,1,3,5-6H2/b4-2-
InChIKeyOFHDUZBRDNMFQD-RQOWECAXSA-N
MW170.21 g/mol
LogP1.02
Rot. Bonds2

About [(2E)-6-hydroxycyclooct-2-en-1-yl] formate

[(2E)-6-hydroxycyclooct-2-en-1-yl] formate (PubChem CID 155745296) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is [(2E)-6-hydroxycyclooct-2-en-1-yl] formate.

Molecular Properties

Compound Name[(2E)-6-hydroxycyclooct-2-en-1-yl] formate
PubChem CID155745296
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name[(2E)-6-hydroxycyclooct-2-en-1-yl] formate
SMILESO=COC1/C=C\CCC(O)CC1
InChIInChI=1S/C9H14O3/c10-7-12-9-4-2-1-3-8(11)5-6-9/h2,4,7-9,11H,1,3,5-6H2/b4-2-
InChIKeyOFHDUZBRDNMFQD-RQOWECAXSA-N
XLogP1.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-hydroxycyclooct-2-en-1-yl) carbamate
CID 123921756
[(2E)-6-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate
CID 118458928
[(2Z)-6-(2-oxoethyl)cyclooct-2-en-1-yl] acetate
CID 155421415
3-hydroperoxycyclopentene
CID 10909498
ethane;[(2E)-6-hydroxycyclooct-2-en-1-yl] N-[2-[(4-amino-2,3,5,6-tetrafluorobenzoyl)amino]ethyl]carbamate
CID 155745384
[(2E)-6-acetylcyclooct-2-en-1-yl] hydrogen carbonate
CID 90182632
actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde
CID 18720250
3-ethenoxycyclohexene
CID 12734632
(4Z)-cyclooct-4-en-1-ol
CID 5381510
(1S)-cyclopent-2-en-1-ol
CID 11789128
(2-hydroxycycloheptyl) formate
CID 130142340
cyclohexane-1,4-diol
CID 11162

Frequently Asked Questions

What is the IUPAC name of [(2E)-6-hydroxycyclooct-2-en-1-yl] formate?
The IUPAC name of [(2E)-6-hydroxycyclooct-2-en-1-yl] formate (CID 155745296) is [(2E)-6-hydroxycyclooct-2-en-1-yl] formate.
What is the SMILES notation for [(2E)-6-hydroxycyclooct-2-en-1-yl] formate?
The canonical SMILES for [(2E)-6-hydroxycyclooct-2-en-1-yl] formate is O=COC1/C=C\CCC(O)CC1.
What is the InChIKey of [(2E)-6-hydroxycyclooct-2-en-1-yl] formate?
The InChIKey is OFHDUZBRDNMFQD-RQOWECAXSA-N. The full InChI is InChI=1S/C9H14O3/c10-7-12-9-4-2-1-3-8(11)5-6-9/h2,4,7-9,11H,1,3,5-6H2/b4-2-.
What are the key properties of [(2E)-6-hydroxycyclooct-2-en-1-yl] formate?
[(2E)-6-hydroxycyclooct-2-en-1-yl] formate has a molecular weight of 170.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-6-hydroxycyclooct-2-en-1-yl] formate is sourced from PubChem (CID 155745296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).