(1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol

C12H22O4 — CID 10513650

IUPAC(1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol
SMILESCOCCOCO[C@H]1CC/C=C\CC[C@@H]1O
InChIInChI=1S/C12H22O4/c1-14-8-9-15-10-16-12-7-5-3-2-4-6-11(12)13/h2-3,11-13H,4-10H2,1H3/b3-2-/t11-,12-/m0/s1
InChIKeyMNVDFQZLUSNZMM-KRURLVKSSA-N
MW230.30 g/mol
LogP1.48
Rot. Bonds6

About (1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol

(1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol (PubChem CID 10513650) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol.

Molecular Properties

Compound Name(1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol
PubChem CID10513650
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol
SMILESCOCCOCO[C@H]1CC/C=C\CC[C@@H]1O
InChIInChI=1S/C12H22O4/c1-14-8-9-15-10-16-12-7-5-3-2-4-6-11(12)13/h2-3,11-13H,4-10H2,1H3/b3-2-/t11-,12-/m0/s1
InChIKeyMNVDFQZLUSNZMM-KRURLVKSSA-N
XLogP1.48
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol
CID 129273949
12-Methoxy-4,8-cyclododecadien-1-ol
CID 6384065
(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 11322182
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
(4R,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 16059325
5-Methoxymethoxy-9-methyl-deca-1,8-dien-4-ol
CID 53305073
5-Methoxymethoxy-9-methyl-dec-8-ene-2,4-diol
CID 53305210
2-Methoxymethoxy-6-methyl-hept-5-en-1-ol
CID 53305655
[(3aR,6Z,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol
CID 101874853
(4S,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144558
(4R,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144559
(5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol
CID 11390251

Frequently Asked Questions

What is the IUPAC name of (1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol?
The IUPAC name of (1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol (CID 10513650) is (1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol.
What is the SMILES notation for (1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol?
The canonical SMILES for (1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol is COCCOCO[C@H]1CC/C=C\CC[C@@H]1O.
What is the InChIKey of (1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol?
The InChIKey is MNVDFQZLUSNZMM-KRURLVKSSA-N. The full InChI is InChI=1S/C12H22O4/c1-14-8-9-15-10-16-12-7-5-3-2-4-6-11(12)13/h2-3,11-13H,4-10H2,1H3/b3-2-/t11-,12-/m0/s1.
What are the key properties of (1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol?
(1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol has a molecular weight of 230.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol is sourced from PubChem (CID 10513650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).