(4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol

C10H18O2 — CID 121216137

IUPAC(4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol
SMILESCC(C)=CC[C@H]1OC(O)C[C@@H]1C
InChIInChI=1S/C10H18O2/c1-7(2)4-5-9-8(3)6-10(11)12-9/h4,8-11H,5-6H2,1-3H3/t8-,9+,10?/m0/s1
InChIKeyNAEQNWSAMUPIAS-QIIDTADFSA-N
MW170.25 g/mol
LogP2.09
Rot. Bonds2

About (4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol

(4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol (PubChem CID 121216137) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol
PubChem CID121216137
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol
SMILESCC(C)=CC[C@H]1OC(O)C[C@@H]1C
InChIInChI=1S/C10H18O2/c1-7(2)4-5-9-8(3)6-10(11)12-9/h4,8-11H,5-6H2,1-3H3/t8-,9+,10?/m0/s1
InChIKeyNAEQNWSAMUPIAS-QIIDTADFSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol?
The IUPAC name of (4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol (CID 121216137) is (4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol.
What is the SMILES notation for (4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol?
The canonical SMILES for (4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol is CC(C)=CC[C@H]1OC(O)C[C@@H]1C.
What is the InChIKey of (4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol?
The InChIKey is NAEQNWSAMUPIAS-QIIDTADFSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)4-5-9-8(3)6-10(11)12-9/h4,8-11H,5-6H2,1-3H3/t8-,9+,10?/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol?
(4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol is sourced from PubChem (CID 121216137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).