(1R)-1-cyclohexa-1,5-dien-1-ylethanol

C8H12O — CID 101132775

IUPAC(1R)-1-cyclohexa-1,5-dien-1-ylethanol
SMILESC[C@@H](O)C1=CCCC=C1
InChIInChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h3,5-7,9H,2,4H2,1H3/t7-/m1/s1
InChIKeyFSACPDJZYVSLNA-SSDOTTSWSA-N
MW124.18 g/mol
LogP1.64
Rot. Bonds1

About (1R)-1-cyclohexa-1,5-dien-1-ylethanol

(1R)-1-cyclohexa-1,5-dien-1-ylethanol (PubChem CID 101132775) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1R)-1-cyclohexa-1,5-dien-1-ylethanol.

Molecular Properties

Compound Name(1R)-1-cyclohexa-1,5-dien-1-ylethanol
PubChem CID101132775
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1R)-1-cyclohexa-1,5-dien-1-ylethanol
SMILESC[C@@H](O)C1=CCCC=C1
InChIInChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h3,5-7,9H,2,4H2,1H3/t7-/m1/s1
InChIKeyFSACPDJZYVSLNA-SSDOTTSWSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methylbutan-2-yl)cyclohexa-1,3-diene
CID 143730073
(1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 145106210
1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 142152612
(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol
CID 165151813
(2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid
CID 57236627
1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol
CID 173132142
1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene
CID 173281402
di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
[(2S)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl] acetate
CID 155071152
methyl 2-amino-2-cyclohexa-1,5-dien-1-ylacetate
CID 177327153
2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene
CID 145269063

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexa-1,5-dien-1-ylethanol?
The IUPAC name of (1R)-1-cyclohexa-1,5-dien-1-ylethanol (CID 101132775) is (1R)-1-cyclohexa-1,5-dien-1-ylethanol.
What is the SMILES notation for (1R)-1-cyclohexa-1,5-dien-1-ylethanol?
The canonical SMILES for (1R)-1-cyclohexa-1,5-dien-1-ylethanol is C[C@@H](O)C1=CCCC=C1.
What is the InChIKey of (1R)-1-cyclohexa-1,5-dien-1-ylethanol?
The InChIKey is FSACPDJZYVSLNA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h3,5-7,9H,2,4H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-cyclohexa-1,5-dien-1-ylethanol?
(1R)-1-cyclohexa-1,5-dien-1-ylethanol has a molecular weight of 124.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexa-1,5-dien-1-ylethanol is sourced from PubChem (CID 101132775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).