(1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol

C15H26O2 — CID 170988914

IUPAC(1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol
SMILESCC(C)=CCC[C@]1(C)C(C)=CC[C@H]1[C@@H](O)CO
InChIInChI=1S/C15H26O2/c1-11(2)6-5-9-15(4)12(3)7-8-13(15)14(17)10-16/h6-7,13-14,16-17H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1
InChIKeyXYTCTSGVMYFYBP-SOUVJXGZSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds5

About (1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol

(1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol (PubChem CID 170988914) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol
PubChem CID170988914
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol
SMILESCC(C)=CCC[C@]1(C)C(C)=CC[C@H]1[C@@H](O)CO
InChIInChI=1S/C15H26O2/c1-11(2)6-5-9-15(4)12(3)7-8-13(15)14(17)10-16/h6-7,13-14,16-17H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1
InChIKeyXYTCTSGVMYFYBP-SOUVJXGZSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.06
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 (1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol (CID 170988914) is (1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol is CC(C)=CCC[C@]1(C)C(C)=CC[C@H]1[C@@H](O)CO.
What is the InChIKey of (1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol?
The InChIKey is XYTCTSGVMYFYBP-SOUVJXGZSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)6-5-9-15(4)12(3)7-8-13(15)14(17)10-16/h6-7,13-14,16-17H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1.
What are the key properties of (1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol?
(1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol has a molecular weight of 238.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2S)-2,3-dimethyl-2-(4-methylpent-3-enyl)cyclopent-3-en-1-yl]ethane-1,2-diol is sourced from PubChem (CID 170988914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).