(2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol

C11H18O — CID 146213471

IUPAC(2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)C1C=CC=CC1
InChIInChI=1S/C11H18O/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-6,9-12H,7-8H2,1-2H3/t10?,11-/m0/s1
InChIKeyPOAJTGMXFPPROA-DTIOYNMSSA-N
MW166.26 g/mol
LogP2.38
Rot. Bonds3

About (2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol

(2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol (PubChem CID 146213471) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol
PubChem CID146213471
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)C1C=CC=CC1
InChIInChI=1S/C11H18O/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-6,9-12H,7-8H2,1-2H3/t10?,11-/m0/s1
InChIKeyPOAJTGMXFPPROA-DTIOYNMSSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol (CID 146213471) is (2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol is CC(C)[C@H](CO)C1C=CC=CC1.
What is the InChIKey of (2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol?
The InChIKey is POAJTGMXFPPROA-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-6,9-12H,7-8H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol?
(2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexa-2,4-dien-1-yl-3-methylbutan-1-ol is sourced from PubChem (CID 146213471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).