1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene

C10H16O2 — CID 12642148

IUPAC1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene
SMILESCOCCC1=CC=C(OC)CC1
InChIInChI=1S/C10H16O2/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3,5H,4,6-8H2,1-2H3
InChIKeyUTIWVEVNOMNBCD-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds4

About 1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene

1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene (PubChem CID 12642148) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene
PubChem CID12642148
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene
SMILESCOCCC1=CC=C(OC)CC1
InChIInChI=1S/C10H16O2/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3,5H,4,6-8H2,1-2H3
InChIKeyUTIWVEVNOMNBCD-UHFFFAOYSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Cyclohexadiene, 1-methoxy-4-methyl-
CID 10986221
4-Methoxy-1,2-dimethylcyclohexa-1,3-diene
CID 13087975
2-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxine
CID 57014239
1-Methoxy-3-methylenecyclohexene
CID 137710
(2Z)-4-(fluoromethoxy)-1-methylidene-2-propylidenecyclohexane
CID 117633337
1-Ethyl-4-(5,5,5-trifluoropentoxy)cyclohexa-1,3-diene
CID 129166872
3-(4-Methoxycyclohexa-1,3-dien-1-yl)propan-1-ol
CID 11045033
Di-(3-methoxy-2,5-dihydrophenyl)methane
CID 12197873
1-[(Z)-1,2-dimethoxyethenyl]cyclohexene
CID 134985663
(5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene
CID 135045326
2-Fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene
CID 142490374
4-Ethyl-2-fluoro-1-methoxycyclohexa-1,3-diene
CID 144991058

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene?
The IUPAC name of 1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene (CID 12642148) is 1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene is COCCC1=CC=C(OC)CC1.
What is the InChIKey of 1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene?
The InChIKey is UTIWVEVNOMNBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3,5H,4,6-8H2,1-2H3.
What are the key properties of 1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene?
1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene has a molecular weight of 168.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 12642148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).