2-(trimethoxymethyl)cyclohexa-1,3-diene

C10H16O3 — CID 135035303

IUPAC2-(trimethoxymethyl)cyclohexa-1,3-diene
SMILESCOC(OC)(OC)C1=CCCC=C1
InChIInChI=1S/C10H16O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h5,7-8H,4,6H2,1-3H3
InChIKeyXXHKXPJLQMBGDO-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.86
Rot. Bonds4

About 2-(trimethoxymethyl)cyclohexa-1,3-diene

2-(trimethoxymethyl)cyclohexa-1,3-diene (PubChem CID 135035303) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(trimethoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(trimethoxymethyl)cyclohexa-1,3-diene
PubChem CID135035303
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(trimethoxymethyl)cyclohexa-1,3-diene
SMILESCOC(OC)(OC)C1=CCCC=C1
InChIInChI=1S/C10H16O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h5,7-8H,4,6H2,1-3H3
InChIKeyXXHKXPJLQMBGDO-UHFFFAOYSA-N
XLogP1.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
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

5,6,6-Trimethoxy-2-prop-2-enylcyclohexa-1,3-diene
CID 163192813
4-(Dimethoxymethyl)phenylmagnesium bromide
CID 11265320
5,5,6,6-Tetramethoxycyclohexa-1,3-diene
CID 12950397
1,1-Dimethoxybenzene
CID 18445625
2-(1,1-Dimethoxyethyl)cyclohexa-1,3-diene
CID 70338625
1-Methoxy-4-propenylphenol
CID 129762163
2-(Dimethoxymethyl)cyclohexa-1,3-diene
CID 135045565
1,4-Cyclohexadiene, 3,3,6,6-tetramethoxy-1-methyl-
CID 10353189
1-Ethyl-7,7-dimethoxycyclohepta-1,3,5-triene
CID 11805352
7,7-Dimethoxy-1-methylcyclohepta-1,3,5-triene
CID 85612912
7,7-Dimethoxy-1-methyl-3-propan-2-ylcyclohepta-1,3,5-triene
CID 85657422
3-Butyl-7,7-dimethoxy-1-methylcyclohepta-1,3,5-triene
CID 85657425

Frequently Asked Questions

What is the IUPAC name of 2-(trimethoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(trimethoxymethyl)cyclohexa-1,3-diene (CID 135035303) is 2-(trimethoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(trimethoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(trimethoxymethyl)cyclohexa-1,3-diene is COC(OC)(OC)C1=CCCC=C1.
What is the InChIKey of 2-(trimethoxymethyl)cyclohexa-1,3-diene?
The InChIKey is XXHKXPJLQMBGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 2-(trimethoxymethyl)cyclohexa-1,3-diene?
2-(trimethoxymethyl)cyclohexa-1,3-diene has a molecular weight of 184.23 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 135035303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).