5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene

C13H22O — CID 139301707

IUPAC5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)COC1(C(C)C)C=CC=CC1
InChIInChI=1S/C13H22O/c1-11(2)10-14-13(12(3)4)8-6-5-7-9-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyGMLUCBDPGSIWFK-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.57
Rot. Bonds4

About 5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene

5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 139301707) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID139301707
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)COC1(C(C)C)C=CC=CC1
InChIInChI=1S/C13H22O/c1-11(2)10-14-13(12(3)4)8-6-5-7-9-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyGMLUCBDPGSIWFK-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

2-Methoxy-2-propyl-benzene
CID 67683982
(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran
CID 122471233
Xylenyl ether
CID 129634627
5-Methoxy-5-(1,1,1-trifluoropropan-2-yl)cyclohexa-1,3-diene
CID 68388643
6-Fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene
CID 90958830
3,6,6-Trimethyl-5-prop-2-enyl-2,3-dihydropyran
CID 11095002
(6R)-6-(2-methylpropyl)-6-prop-2-enyl-2,5-dihydropyran
CID 12103746
6-(2-methylpropyl)-3,6-dihydro-2H-pyran
CID 101941171
(6R)-6-(2-methylpropyl)-3,6-dihydro-2H-pyran
CID 101990060
3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]cyclohexene
CID 176427815
(9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene
CID 11127681
1,3-Cyclohexadiene, 2-methoxy-5-(1-methylethyl)-
CID 12599166

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene (CID 139301707) is 5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene is CC(C)COC1(C(C)C)C=CC=CC1.
What is the InChIKey of 5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is GMLUCBDPGSIWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-11(2)10-14-13(12(3)4)8-6-5-7-9-13/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene?
5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 194.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 139301707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).