(2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol

C14H26O — CID 98048650

IUPAC(2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol
SMILESCC1=CC[C@H](CC[C@@H](C)[C@H](C)O)C1(C)C
InChIInChI=1S/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h7,10,12-13,15H,6,8-9H2,1-5H3/t10-,12+,13+/m1/s1
InChIKeyNGYMOTOXXHCHOC-WXHSDQCUSA-N
MW210.36 g/mol
LogP3.78
Rot. Bonds4

About (2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol

(2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol (PubChem CID 98048650) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol
PubChem CID98048650
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol
SMILESCC1=CC[C@H](CC[C@@H](C)[C@H](C)O)C1(C)C
InChIInChI=1S/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h7,10,12-13,15H,6,8-9H2,1-5H3/t10-,12+,13+/m1/s1
InChIKeyNGYMOTOXXHCHOC-WXHSDQCUSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol?
The IUPAC name of (2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol (CID 98048650) is (2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol.
What is the SMILES notation for (2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol?
The canonical SMILES for (2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol is CC1=CC[C@H](CC[C@@H](C)[C@H](C)O)C1(C)C.
What is the InChIKey of (2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol?
The InChIKey is NGYMOTOXXHCHOC-WXHSDQCUSA-N. The full InChI is InChI=1S/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h7,10,12-13,15H,6,8-9H2,1-5H3/t10-,12+,13+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol?
(2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol has a molecular weight of 210.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol is sourced from PubChem (CID 98048650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).