3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene

C13H22O — CID 102598556

IUPAC3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1=CC(COC)CCC1(C)C
InChIInChI=1S/C13H22O/c1-10(2)12-8-11(9-14-5)6-7-13(12,3)4/h8,11H,1,6-7,9H2,2-5H3
InChIKeyXUXMTRBCXYVUQA-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.57
Rot. Bonds3

About 3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene

3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene (PubChem CID 102598556) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene
PubChem CID102598556
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1=CC(COC)CCC1(C)C
InChIInChI=1S/C13H22O/c1-10(2)12-8-11(9-14-5)6-7-13(12,3)4/h8,11H,1,6-7,9H2,2-5H3
InChIKeyXUXMTRBCXYVUQA-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-2-oxocyclopentane-1-carbaldehyde
CID 79857887
3-methoxy-5-(methoxymethyl)cyclohexa-1,3-dien-1-ol
CID 146244229
[7-(methoxymethyl)-2-bicyclo[2.2.1]hept-2-enyl] 2-methylprop-2-enoate
CID 88978643
trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol
CID 178196610
(1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol
CID 101264414
1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane
CID 89187002
3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene
CID 562417
(4R)-4-(methoxymethyl)cyclohexene
CID 124567710
[4-(methoxymethyl)cyclohexyl]methanol
CID 19938783
(3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol
CID 130130412
5-methyl-5-(2-methylprop-2-enyl)oxolan-2-ol
CID 15853902
6-methoxy-1,2,3,3-tetramethylcyclohexene
CID 11041115

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene?
The IUPAC name of 3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene (CID 102598556) is 3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene is C=C(C)C1=CC(COC)CCC1(C)C.
What is the InChIKey of 3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene?
The InChIKey is XUXMTRBCXYVUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-10(2)12-8-11(9-14-5)6-7-13(12,3)4/h8,11H,1,6-7,9H2,2-5H3.
What are the key properties of 3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene?
3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene has a molecular weight of 194.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6,6-dimethyl-1-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 102598556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).