(5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol

C11H18O — CID 70355900

IUPAC(5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
SMILESCC1=C(O)C(C(C)C)[C@H](C)C=C1
InChIInChI=1S/C11H18O/c1-7(2)10-8(3)5-6-9(4)11(10)12/h5-8,10,12H,1-4H3/t8-,10?/m1/s1
InChIKeyZQAUKIJWKUGTRZ-HNHGDDPOSA-N
MW166.26 g/mol
LogP3.30
Rot. Bonds1

About (5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol

(5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol (PubChem CID 70355900) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name(5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
PubChem CID70355900
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
SMILESCC1=C(O)C(C(C)C)[C@H](C)C=C1
InChIInChI=1S/C11H18O/c1-7(2)10-8(3)5-6-9(4)11(10)12/h5-8,10,12H,1-4H3/t8-,10?/m1/s1
InChIKeyZQAUKIJWKUGTRZ-HNHGDDPOSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol?
The IUPAC name of (5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol (CID 70355900) is (5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for (5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for (5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol is CC1=C(O)C(C(C)C)[C@H](C)C=C1.
What is the InChIKey of (5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol?
The InChIKey is ZQAUKIJWKUGTRZ-HNHGDDPOSA-N. The full InChI is InChI=1S/C11H18O/c1-7(2)10-8(3)5-6-9(4)11(10)12/h5-8,10,12H,1-4H3/t8-,10?/m1/s1.
What are the key properties of (5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol?
(5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol has a molecular weight of 166.26 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 70355900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).