cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol

C9H14O3 — CID 123894512

IUPACcyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol
SMILESCOC(O)OCC1C=CC=CC1
InChIInChI=1S/C9H14O3/c1-11-9(10)12-7-8-5-3-2-4-6-8/h2-5,8-10H,6-7H2,1H3
InChIKeyOZFDPHVEQJPBIY-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.06
Rot. Bonds4

About cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol

cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol (PubChem CID 123894512) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol
PubChem CID123894512
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namecyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol
SMILESCOC(O)OCC1C=CC=CC1
InChIInChI=1S/C9H14O3/c1-11-9(10)12-7-8-5-3-2-4-6-8/h2-5,8-10H,6-7H2,1H3
InChIKeyOZFDPHVEQJPBIY-UHFFFAOYSA-N
XLogP1.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(ethoxymethyl)cyclohexa-1,3-diene
CID 23229072
5-(2-ethoxyheptoxymethyl)cyclohexa-1,3-diene
CID 145008773
2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane
CID 141048919
5-propylcyclohexa-1,3-diene
CID 13212987
3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol
CID 102386981
1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
CID 12596377
5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
CID 12596386
cyclohexa-2,4-dien-1-ylmethyl 4-methylbenzenesulfonate
CID 174450649
1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine
CID 153348413
3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine
CID 142554560
3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine
CID 129144726
5-(cyclohexa-2,4-dien-1-ylmethoxycarbonyl)benzene-1,2,4-tricarboxylic acid
CID 22406354

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol?
The IUPAC name of cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol (CID 123894512) is cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol.
What is the SMILES notation for cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol?
The canonical SMILES for cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol is COC(O)OCC1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol?
The InChIKey is OZFDPHVEQJPBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-11-9(10)12-7-8-5-3-2-4-6-8/h2-5,8-10H,6-7H2,1H3.
What are the key properties of cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol?
cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol has a molecular weight of 170.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol is sourced from PubChem (CID 123894512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).