1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene

C14H18O2 — CID 90935645

IUPAC1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene
SMILESC=C(C=c1c(OC)c(OC)ccc1=C)CC
InChIInChI=1S/C14H18O2/c1-6-10(2)9-12-11(3)7-8-13(15-4)14(12)16-5/h7-9H,2-3,6H2,1,4-5H3
InChIKeyABYVCLCWTRUAMN-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.86
Rot. Bonds4

About 1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene

1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene (PubChem CID 90935645) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene
PubChem CID90935645
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene
SMILESC=C(C=c1c(OC)c(OC)ccc1=C)CC
InChIInChI=1S/C14H18O2/c1-6-10(2)9-12-11(3)7-8-13(15-4)14(12)16-5/h7-9H,2-3,6H2,1,4-5H3
InChIKeyABYVCLCWTRUAMN-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, dihydro-4-allyl-1,2-dimethoxy-
CID 3053286
(1)Benzopyrano(5,4,3-cde)(1)benzopyran
CID 6451338
1,2,3,9,10-Pentamethoxybenzo[a]heptalene
CID 15241078
(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene
CID 11257041
6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran
CID 11458036
(4aZ,8aZ,12aZ,16aZ)-1,8,9,16-tetramethoxytetraphenylene
CID 101743118
Lithium 1-methoxy-4-methylbenzene-6-ide
CID 10887914
2,7-Dimethoxybiphenylene
CID 11287311
Dimethoxycyclohexadiene
CID 14358150
Lithium 1-methoxy-3-methylbenzene-4-ide
CID 14790499
2-Methoxy-5-(methoxymethyl)-2,5-cyclohexadiene
CID 21546448
2-(1,1-Dimethoxyethyl)cyclohexa-1,3-diene
CID 70338625

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene?
The IUPAC name of 1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene (CID 90935645) is 1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene.
What is the SMILES notation for 1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene?
The canonical SMILES for 1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene is C=C(C=c1c(OC)c(OC)ccc1=C)CC.
What is the InChIKey of 1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene?
The InChIKey is ABYVCLCWTRUAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-6-10(2)9-12-11(3)7-8-13(15-4)14(12)16-5/h7-9H,2-3,6H2,1,4-5H3.
What are the key properties of 1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene?
1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene has a molecular weight of 218.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene is sourced from PubChem (CID 90935645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).