(1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol

C11H20O — CID 13331993

IUPAC(1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol
SMILESC=C[C@H](C)[C@H](O)C1CCCCC1
InChIInChI=1S/C11H20O/c1-3-9(2)11(12)10-7-5-4-6-8-10/h3,9-12H,1,4-8H2,2H3/t9-,11-/m0/s1
InChIKeyDTRSBSFLBIIIIC-ONGXEEELSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds3

About (1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol

(1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol (PubChem CID 13331993) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol
PubChem CID13331993
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol
SMILESC=C[C@H](C)[C@H](O)C1CCCCC1
InChIInChI=1S/C11H20O/c1-3-9(2)11(12)10-7-5-4-6-8-10/h3,9-12H,1,4-8H2,2H3/t9-,11-/m0/s1
InChIKeyDTRSBSFLBIIIIC-ONGXEEELSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol?
The IUPAC name of (1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol (CID 13331993) is (1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol.
What is the SMILES notation for (1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol?
The canonical SMILES for (1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol is C=C[C@H](C)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol?
The InChIKey is DTRSBSFLBIIIIC-ONGXEEELSA-N. The full InChI is InChI=1S/C11H20O/c1-3-9(2)11(12)10-7-5-4-6-8-10/h3,9-12H,1,4-8H2,2H3/t9-,11-/m0/s1.
What are the key properties of (1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol?
(1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol is sourced from PubChem (CID 13331993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).