6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol

C10H18O4 — CID 123167455

IUPAC6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol
SMILESCOC(O)OC1C=CCCC(O)CC1
InChIInChI=1S/C10H18O4/c1-13-10(12)14-9-5-3-2-4-8(11)6-7-9/h3,5,8-12H,2,4,6-7H2,1H3
InChIKeyVSCXNHZBQVAILP-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.79
Rot. Bonds3

About 6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol

6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol (PubChem CID 123167455) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol.

Molecular Properties

Compound Name6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol
PubChem CID123167455
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol
SMILESCOC(O)OC1C=CCCC(O)CC1
InChIInChI=1S/C10H18O4/c1-13-10(12)14-9-5-3-2-4-8(11)6-7-9/h3,5,8-12H,2,4,6-7H2,1H3
InChIKeyVSCXNHZBQVAILP-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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Related Compounds

(e)-4r-Hydroxynonenal-dimethylacetal
CID 14159265
(e)-4-Hydroxy-2-nonenal-diethylacetal
CID 14298925
4-Hydroxynonenal-diethylacetal
CID 57319218
1-Cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol
CID 163789035
(E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 10466412
(E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol
CID 56650372
4-Hydroxy-2-nonenal-dimethyl acetal
CID 57347575
[(E)-12-hydroxy-1-methoxycarbonyloxydodec-2-en-4-yl] methyl carbonate
CID 101616302
(2S,8S,11S)-8,11-bis(methoxymethoxy)tridec-12-en-2-ol
CID 134853342
(E,4S,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 134993005
(E)-4-hydroxynon-2-enal dimethyl acetal
CID 14159264
(E,4S)-4-(methoxymethoxy)octadec-2-en-1-ol
CID 11493624

Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol?
The IUPAC name of 6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol (CID 123167455) is 6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol.
What is the SMILES notation for 6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol?
The canonical SMILES for 6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol is COC(O)OC1C=CCCC(O)CC1.
What is the InChIKey of 6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol?
The InChIKey is VSCXNHZBQVAILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-13-10(12)14-9-5-3-2-4-8(11)6-7-9/h3,5,8-12H,2,4,6-7H2,1H3.
What are the key properties of 6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol?
6-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol 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-[hydroxy(methoxy)methoxy]cyclooct-4-en-1-ol is sourced from PubChem (CID 123167455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).