3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol

C10H16O2 — CID 151725173

IUPAC3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol
SMILESCOC1(C)C=C(O)C=C(C)C1C
InChIInChI=1S/C10H16O2/c1-7-5-9(11)6-10(3,12-4)8(7)2/h5-6,8,11H,1-4H3
InChIKeyRJKQQDXUDPQFGK-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.43
Rot. Bonds1

About 3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol

3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol (PubChem CID 151725173) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol
PubChem CID151725173
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol
SMILESCOC1(C)C=C(O)C=C(C)C1C
InChIInChI=1S/C10H16O2/c1-7-5-9(11)6-10(3,12-4)8(7)2/h5-6,8,11H,1-4H3
InChIKeyRJKQQDXUDPQFGK-UHFFFAOYSA-N
XLogP2.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol (CID 151725173) is 3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol is COC1(C)C=C(O)C=C(C)C1C.
What is the InChIKey of 3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol?
The InChIKey is RJKQQDXUDPQFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-5-9(11)6-10(3,12-4)8(7)2/h5-6,8,11H,1-4H3.
What are the key properties of 3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol?
3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol has a molecular weight of 168.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3,4,5-trimethylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 151725173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).