(4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol

C15H28O — CID 163813783

IUPAC(4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol
SMILESCCC[C@@H](CC(C)O)[C@@]12CCCC1(C)CC2
InChIInChI=1S/C15H28O/c1-4-6-13(11-12(2)16)15-8-5-7-14(15,3)9-10-15/h12-13,16H,4-11H2,1-3H3/t12?,13-,14?,15-/m0/s1
InChIKeyNPOCYGFCRYQLDD-SHWKFHJASA-N
MW224.39 g/mol
LogP4.14
Rot. Bonds5

About (4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol

(4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol (PubChem CID 163813783) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol.

Molecular Properties

Compound Name(4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol
PubChem CID163813783
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol
SMILESCCC[C@@H](CC(C)O)[C@@]12CCCC1(C)CC2
InChIInChI=1S/C15H28O/c1-4-6-13(11-12(2)16)15-8-5-7-14(15,3)9-10-15/h12-13,16H,4-11H2,1-3H3/t12?,13-,14?,15-/m0/s1
InChIKeyNPOCYGFCRYQLDD-SHWKFHJASA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-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)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol?
The IUPAC name of (4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol (CID 163813783) is (4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol.
What is the SMILES notation for (4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol?
The canonical SMILES for (4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol is CCC[C@@H](CC(C)O)[C@@]12CCCC1(C)CC2.
What is the InChIKey of (4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol?
The InChIKey is NPOCYGFCRYQLDD-SHWKFHJASA-N. The full InChI is InChI=1S/C15H28O/c1-4-6-13(11-12(2)16)15-8-5-7-14(15,3)9-10-15/h12-13,16H,4-11H2,1-3H3/t12?,13-,14?,15-/m0/s1.
What are the key properties of (4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol?
(4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol has a molecular weight of 224.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol is sourced from PubChem (CID 163813783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).