(E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol

C11H20O2 — CID 5324977

IUPAC(E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol
SMILESC/C=C(/OC)[C@H](O)C1CCCCC1
InChIInChI=1S/C11H20O2/c1-3-10(13-2)11(12)9-7-5-4-6-8-9/h3,9,11-12H,4-8H2,1-2H3/b10-3+/t11-/m1/s1
InChIKeyHOCOHCQKQDMZEJ-JNZVDCKRSA-N
MW184.28 g/mol
LogP2.48
Rot. Bonds3

About (E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol

(E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol (PubChem CID 5324977) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol
PubChem CID5324977
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol
SMILESC/C=C(/OC)[C@H](O)C1CCCCC1
InChIInChI=1S/C11H20O2/c1-3-10(13-2)11(12)9-7-5-4-6-8-9/h3,9,11-12H,4-8H2,1-2H3/b10-3+/t11-/m1/s1
InChIKeyHOCOHCQKQDMZEJ-JNZVDCKRSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol?
The IUPAC name of (E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol (CID 5324977) is (E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol?
The canonical SMILES for (E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol is C/C=C(/OC)[C@H](O)C1CCCCC1.
What is the InChIKey of (E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol?
The InChIKey is HOCOHCQKQDMZEJ-JNZVDCKRSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-10(13-2)11(12)9-7-5-4-6-8-9/h3,9,11-12H,4-8H2,1-2H3/b10-3+/t11-/m1/s1.
What are the key properties of (E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol?
(E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-cyclohexyl-2-methoxybut-2-en-1-ol is sourced from PubChem (CID 5324977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).