6-methyl-6-propoxycyclohexa-1,3-dien-1-ol

C10H16O2 — CID 70503956

IUPAC6-methyl-6-propoxycyclohexa-1,3-dien-1-ol
SMILESCCCOC1(C)CC=CC=C1O
InChIInChI=1S/C10H16O2/c1-3-8-12-10(2)7-5-4-6-9(10)11/h4-6,11H,3,7-8H2,1-2H3
InChIKeyLGRUPOLRVOTYQI-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.57
Rot. Bonds3

About 6-methyl-6-propoxycyclohexa-1,3-dien-1-ol

6-methyl-6-propoxycyclohexa-1,3-dien-1-ol (PubChem CID 70503956) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-methyl-6-propoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-methyl-6-propoxycyclohexa-1,3-dien-1-ol
PubChem CID70503956
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6-methyl-6-propoxycyclohexa-1,3-dien-1-ol
SMILESCCCOC1(C)CC=CC=C1O
InChIInChI=1S/C10H16O2/c1-3-8-12-10(2)7-5-4-6-9(10)11/h4-6,11H,3,7-8H2,1-2H3
InChIKeyLGRUPOLRVOTYQI-UHFFFAOYSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-propoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-methyl-6-propoxycyclohexa-1,3-dien-1-ol (CID 70503956) is 6-methyl-6-propoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-methyl-6-propoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-methyl-6-propoxycyclohexa-1,3-dien-1-ol is CCCOC1(C)CC=CC=C1O.
What is the InChIKey of 6-methyl-6-propoxycyclohexa-1,3-dien-1-ol?
The InChIKey is LGRUPOLRVOTYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-8-12-10(2)7-5-4-6-9(10)11/h4-6,11H,3,7-8H2,1-2H3.
What are the key properties of 6-methyl-6-propoxycyclohexa-1,3-dien-1-ol?
6-methyl-6-propoxycyclohexa-1,3-dien-1-ol has a molecular weight of 168.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-propoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 70503956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).