4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol

C11H18O3 — CID 70443582

IUPAC4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC(O)C1=CC=C(O)C(C)(C(C)O)C1
InChIInChI=1S/C11H18O3/c1-7(12)9-4-5-10(14)11(3,6-9)8(2)13/h4-5,7-8,12-14H,6H2,1-3H3
InChIKeyJGVQWQCAXPTVHW-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.53
Rot. Bonds2

About 4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol

4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 70443582) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID70443582
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC(O)C1=CC=C(O)C(C)(C(C)O)C1
InChIInChI=1S/C11H18O3/c1-7(12)9-4-5-10(14)11(3,6-9)8(2)13/h4-5,7-8,12-14H,6H2,1-3H3
InChIKeyJGVQWQCAXPTVHW-UHFFFAOYSA-N
XLogP1.53
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol (CID 70443582) is 4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol is CC(O)C1=CC=C(O)C(C)(C(C)O)C1.
What is the InChIKey of 4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is JGVQWQCAXPTVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-7(12)9-4-5-10(14)11(3,6-9)8(2)13/h4-5,7-8,12-14H,6H2,1-3H3.
What are the key properties of 4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol?
4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(1-hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 70443582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).