5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene

C15H24O2 — CID 102149759

IUPAC5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene
SMILESC=C(C)C1=C(C)CC(COC)(COC)C=C1C
InChIInChI=1S/C15H24O2/c1-11(2)14-12(3)7-15(9-16-5,10-17-6)8-13(14)4/h7H,1,8-10H2,2-6H3
InChIKeyQLGGJHCOOZFEFH-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.51
Rot. Bonds5

About 5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene

5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene (PubChem CID 102149759) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene
PubChem CID102149759
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene
SMILESC=C(C)C1=C(C)CC(COC)(COC)C=C1C
InChIInChI=1S/C15H24O2/c1-11(2)14-12(3)7-15(9-16-5,10-17-6)8-13(14)4/h7H,1,8-10H2,2-6H3
InChIKeyQLGGJHCOOZFEFH-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Diethoxymethylbenzene
CID 129706044
1-[[3,3-Bis(ethoxymethyl)cyclobutylidene]methyl]cyclohexene
CID 101542128
1,1-Bis(ethoxymethyl)-3-(3-methylbut-3-en-2-ylidene)cyclobutane
CID 101542133
2-[3,3-Bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane
CID 102492311
4,4-Bis(methoxymethyl)-3,6-dimethylhept-2-ene
CID 54242012
[3-Methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium
CID 59952655
5,5-Bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene
CID 67592669
9,9-Bis(methoxymethyl)cyclopenta[a]naphthalene
CID 87694154
(Z)-4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene
CID 88084085
4-(Methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane
CID 123825938
5,5-Bis(methoxymethyl)cyclohexa-1,3-diene
CID 140207668
6,6-Bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol
CID 140558584

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene?
The IUPAC name of 5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene (CID 102149759) is 5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene is C=C(C)C1=C(C)CC(COC)(COC)C=C1C.
What is the InChIKey of 5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene?
The InChIKey is QLGGJHCOOZFEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)14-12(3)7-15(9-16-5,10-17-6)8-13(14)4/h7H,1,8-10H2,2-6H3.
What are the key properties of 5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene?
5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene has a molecular weight of 236.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 102149759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).