5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene

C13H22O — CID 141204231

IUPAC5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene
SMILESCCC(OC(C)C)C1(C)C=CC=CC1
InChIInChI=1S/C13H22O/c1-5-12(14-11(2)3)13(4)9-7-6-8-10-13/h6-9,11-12H,5,10H2,1-4H3
InChIKeyRXFOJIJYPBZLMP-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.71
Rot. Bonds4

About 5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene

5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene (PubChem CID 141204231) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene
PubChem CID141204231
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene
SMILESCCC(OC(C)C)C1(C)C=CC=CC1
InChIInChI=1S/C13H22O/c1-5-12(14-11(2)3)13(4)9-7-6-8-10-13/h6-9,11-12H,5,10H2,1-4H3
InChIKeyRXFOJIJYPBZLMP-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene
CID 143035415
4-(1-Cyclopentyloxybut-3-enyl)-4-methylcyclopentene
CID 135023269
1-Tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 139242869
4-(6,6-Dimethyl-2-methylenecyclohex-3-enylidene)pentan-2-ol
CID 5370028
4-(6,6-Dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol
CID 572425
4-(3,3-Dimethylbutan-2-yloxy)cyclohexene
CID 19379319
5,5-Bis(1-butoxyethyl)cyclopenta-1,3-diene
CID 22140465
5,5-Bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene
CID 22140517
2-(2-Methoxypropyl)-2-methylindene
CID 23209599
4-Methoxy-7,15-dimethyl-15-propyloctadeca-1,7,9,13-tetraene
CID 53781588
4-(3,3-Dimethylbutoxy)cyclohexene
CID 57314537
2-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran
CID 58911950

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene?
The IUPAC name of 5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene (CID 141204231) is 5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene is CCC(OC(C)C)C1(C)C=CC=CC1.
What is the InChIKey of 5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene?
The InChIKey is RXFOJIJYPBZLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-5-12(14-11(2)3)13(4)9-7-6-8-10-13/h6-9,11-12H,5,10H2,1-4H3.
What are the key properties of 5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene?
5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene has a molecular weight of 194.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene is sourced from PubChem (CID 141204231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).