cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol

C15H26O2 — CID 101221526

IUPACcis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol
SMILESCC/C=C\C[C@H]1C(C)(C)CCC[C@]1(O)[C@@H]1CO1
InChIInChI=1S/C15H26O2/c1-4-5-6-8-12-14(2,3)9-7-10-15(12,16)13-11-17-13/h5-6,12-13,16H,4,7-11H2,1-3H3/b6-5-/t12-,13-,15+/m0/s1
InChIKeyKTZKLBOMHMXYMN-UHNNIBMRSA-N
MW238.37 g/mol
LogP3.30
Rot. Bonds4

About cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol

cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol (PubChem CID 101221526) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol
PubChem CID101221526
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namecis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol
SMILESCC/C=C\C[C@H]1C(C)(C)CCC[C@]1(O)[C@@H]1CO1
InChIInChI=1S/C15H26O2/c1-4-5-6-8-12-14(2,3)9-7-10-15(12,16)13-11-17-13/h5-6,12-13,16H,4,7-11H2,1-3H3/b6-5-/t12-,13-,15+/m0/s1
InChIKeyKTZKLBOMHMXYMN-UHNNIBMRSA-N
XLogP3.30
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol (CID 101221526) is cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol is CC/C=C\C[C@H]1C(C)(C)CCC[C@]1(O)[C@@H]1CO1.
What is the InChIKey of cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol?
The InChIKey is KTZKLBOMHMXYMN-UHNNIBMRSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-5-6-8-12-14(2,3)9-7-10-15(12,16)13-11-17-13/h5-6,12-13,16H,4,7-11H2,1-3H3/b6-5-/t12-,13-,15+/m0/s1.
What are the key properties of cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol?
cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol is sourced from PubChem (CID 101221526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).