trans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol

C11H20O2 — CID 170841465

IUPACtrans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol
SMILESCC=C1CC[C@@H](OCCC)[C@H](O)C1
InChIInChI=1S/C11H20O2/c1-3-7-13-11-6-5-9(4-2)8-10(11)12/h4,10-12H,3,5-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyGIZPOCVFOCTZBV-GHMZBOCLSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds3

About trans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol

trans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol (PubChem CID 170841465) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is trans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol
PubChem CID170841465
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nametrans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol
SMILESCC=C1CC[C@@H](OCCC)[C@H](O)C1
InChIInChI=1S/C11H20O2/c1-3-7-13-11-6-5-9(4-2)8-10(11)12/h4,10-12H,3,5-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyGIZPOCVFOCTZBV-GHMZBOCLSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 trans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol (CID 170841465) is trans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol is CC=C1CC[C@@H](OCCC)[C@H](O)C1.
What is the InChIKey of trans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol?
The InChIKey is GIZPOCVFOCTZBV-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-7-13-11-6-5-9(4-2)8-10(11)12/h4,10-12H,3,5-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol?
trans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-5-ethylidene-2-propoxycyclohexan-1-ol is sourced from PubChem (CID 170841465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).