(6-methoxycyclooct-2-en-1-yl)oxymethanediol

C10H18O4 — CID 123598052

IUPAC(6-methoxycyclooct-2-en-1-yl)oxymethanediol
SMILESCOC1CCC=CC(OC(O)O)CC1
InChIInChI=1S/C10H18O4/c1-13-8-4-2-3-5-9(7-6-8)14-10(11)12/h3,5,8-12H,2,4,6-7H2,1H3
InChIKeyZPZQYIIRNICMES-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.79
Rot. Bonds3

About (6-methoxycyclooct-2-en-1-yl)oxymethanediol

(6-methoxycyclooct-2-en-1-yl)oxymethanediol (PubChem CID 123598052) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (6-methoxycyclooct-2-en-1-yl)oxymethanediol.

Molecular Properties

Compound Name(6-methoxycyclooct-2-en-1-yl)oxymethanediol
PubChem CID123598052
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(6-methoxycyclooct-2-en-1-yl)oxymethanediol
SMILESCOC1CCC=CC(OC(O)O)CC1
InChIInChI=1S/C10H18O4/c1-13-8-4-2-3-5-9(7-6-8)14-10(11)12/h3,5,8-12H,2,4,6-7H2,1H3
InChIKeyZPZQYIIRNICMES-UHFFFAOYSA-N
XLogP0.79
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-methoxycyclooct-2-en-1-yl)oxymethanediol?
The IUPAC name of (6-methoxycyclooct-2-en-1-yl)oxymethanediol (CID 123598052) is (6-methoxycyclooct-2-en-1-yl)oxymethanediol.
What is the SMILES notation for (6-methoxycyclooct-2-en-1-yl)oxymethanediol?
The canonical SMILES for (6-methoxycyclooct-2-en-1-yl)oxymethanediol is COC1CCC=CC(OC(O)O)CC1.
What is the InChIKey of (6-methoxycyclooct-2-en-1-yl)oxymethanediol?
The InChIKey is ZPZQYIIRNICMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-13-8-4-2-3-5-9(7-6-8)14-10(11)12/h3,5,8-12H,2,4,6-7H2,1H3.
What are the key properties of (6-methoxycyclooct-2-en-1-yl)oxymethanediol?
(6-methoxycyclooct-2-en-1-yl)oxymethanediol has a molecular weight of 202.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxycyclooct-2-en-1-yl)oxymethanediol is sourced from PubChem (CID 123598052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).