4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene

C12H20O — CID 89284119

IUPAC4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=CC=C(C)CC1(C)C(C)C
InChIInChI=1S/C12H20O/c1-9(2)12(4)8-10(3)6-7-11(12)13-5/h6-7,9H,8H2,1-5H3
InChIKeyUTDIJGNEPIEVDA-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.53
Rot. Bonds2

About 4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene

4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 89284119) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID89284119
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=CC=C(C)CC1(C)C(C)C
InChIInChI=1S/C12H20O/c1-9(2)12(4)8-10(3)6-7-11(12)13-5/h6-7,9H,8H2,1-5H3
InChIKeyUTDIJGNEPIEVDA-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy-
CID 10975890
5,6-Ditert-butyl-1-(2-fluorobutoxy)cyclohexa-1,3-diene
CID 68177801
2-Fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 130204418
1-Tert-butyl-2-fluoro-4-methoxy-6-methylcyclohexa-1,3-diene
CID 166796244
1-Methoxy-4,4-dimethyl-cyclohex-1-ene
CID 558759
(1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene
CID 11095466
(4S)-1-methoxy-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexene
CID 53259840
6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene
CID 122205507
lithium (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-olate
CID 134889537
3,3-Dimethyl anethole
CID 175639848
1-Methoxy-5-methyl-3-methylenecyclohexene
CID 144366
1-Tert-butyl-5-methoxycyclohexa-1,4-diene
CID 343159

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene (CID 89284119) is 4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene is COC1=CC=C(C)CC1(C)C(C)C.
What is the InChIKey of 4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is UTDIJGNEPIEVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9(2)12(4)8-10(3)6-7-11(12)13-5/h6-7,9H,8H2,1-5H3.
What are the key properties of 4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene?
4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 180.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 89284119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).