cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol

C11H20O2 — CID 15355962

IUPACcis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol
SMILESC=C(CO)[C@H]1CCCCCC[C@H]1O
InChIInChI=1S/C11H20O2/c1-9(8-12)10-6-4-2-3-5-7-11(10)13/h10-13H,1-8H2/t10-,11-/m1/s1
InChIKeyGXQHNVVNMFDPJU-GHMZBOCLSA-N
MW184.28 g/mol
LogP1.87
Rot. Bonds2

About cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol

cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol (PubChem CID 15355962) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol
PubChem CID15355962
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namecis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol
SMILESC=C(CO)[C@H]1CCCCCC[C@H]1O
InChIInChI=1S/C11H20O2/c1-9(8-12)10-6-4-2-3-5-7-11(10)13/h10-13H,1-8H2/t10-,11-/m1/s1
InChIKeyGXQHNVVNMFDPJU-GHMZBOCLSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
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 cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol?
The IUPAC name of cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol (CID 15355962) is cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol is C=C(CO)[C@H]1CCCCCC[C@H]1O.
What is the InChIKey of cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol?
The InChIKey is GXQHNVVNMFDPJU-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(8-12)10-6-4-2-3-5-7-11(10)13/h10-13H,1-8H2/t10-,11-/m1/s1.
What are the key properties of cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol?
cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol is sourced from PubChem (CID 15355962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).