(2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol

C11H18O — CID 10103520

IUPAC(2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol
SMILESCCC1=CCC=C(C[C@@H](C)O)C1
InChIInChI=1S/C11H18O/c1-3-10-5-4-6-11(8-10)7-9(2)12/h5-6,9,12H,3-4,7-8H2,1-2H3/t9-/m1/s1
InChIKeySDGYOXPCEXDFMZ-SECBINFHSA-N
MW166.26 g/mol
LogP2.81
Rot. Bonds3

About (2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol

(2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol (PubChem CID 10103520) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol
PubChem CID10103520
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol
SMILESCCC1=CCC=C(C[C@@H](C)O)C1
InChIInChI=1S/C11H18O/c1-3-10-5-4-6-11(8-10)7-9(2)12/h5-6,9,12H,3-4,7-8H2,1-2H3/t9-/m1/s1
InChIKeySDGYOXPCEXDFMZ-SECBINFHSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 85404808
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CID 14937169
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CID 89393276
1-(3-ethylphenyl)propan-2-ol
CID 85092525
5-(2-hydroxypropyl)-2,3-dihydropyran-6-one
CID 174851296
1-(2-ethyl-5-methylphenyl)propan-2-ol
CID 117277868
5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol
CID 142281390
1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117358658
1-[2,3-bis(aminomethyl)phenyl]propan-2-ol
CID 101292367
1-ethyl-4-propylcyclopenta-1,3-diene
CID 139667468
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol
CID 83675637
1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol
CID 65278136

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol (CID 10103520) is (2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol is CCC1=CCC=C(C[C@@H](C)O)C1.
What is the InChIKey of (2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol?
The InChIKey is SDGYOXPCEXDFMZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H18O/c1-3-10-5-4-6-11(8-10)7-9(2)12/h5-6,9,12H,3-4,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol?
(2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-ethylcyclohexa-1,4-dien-1-yl)propan-2-ol is sourced from PubChem (CID 10103520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).