(3R,4R)-3,4-dimethyldec-1-en-4-ol

C12H24O — CID 170849264

IUPAC(3R,4R)-3,4-dimethyldec-1-en-4-ol
SMILESC=C[C@@H](C)[C@](C)(O)CCCCCC
InChIInChI=1S/C12H24O/c1-5-7-8-9-10-12(4,13)11(3)6-2/h6,11,13H,2,5,7-10H2,1,3-4H3/t11-,12-/m1/s1
InChIKeyAWCUIMMQNFZKDC-VXGBXAGGSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds7

About (3R,4R)-3,4-dimethyldec-1-en-4-ol

(3R,4R)-3,4-dimethyldec-1-en-4-ol (PubChem CID 170849264) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (3R,4R)-3,4-dimethyldec-1-en-4-ol.

Molecular Properties

Compound Name(3R,4R)-3,4-dimethyldec-1-en-4-ol
PubChem CID170849264
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(3R,4R)-3,4-dimethyldec-1-en-4-ol
SMILESC=C[C@@H](C)[C@](C)(O)CCCCCC
InChIInChI=1S/C12H24O/c1-5-7-8-9-10-12(4,13)11(3)6-2/h6,11,13H,2,5,7-10H2,1,3-4H3/t11-,12-/m1/s1
InChIKeyAWCUIMMQNFZKDC-VXGBXAGGSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R,4R)-3,4-dimethyldec-1-en-4-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 (3R,4R)-3,4-dimethyldec-1-en-4-ol?
The IUPAC name of (3R,4R)-3,4-dimethyldec-1-en-4-ol (CID 170849264) is (3R,4R)-3,4-dimethyldec-1-en-4-ol.
What is the SMILES notation for (3R,4R)-3,4-dimethyldec-1-en-4-ol?
The canonical SMILES for (3R,4R)-3,4-dimethyldec-1-en-4-ol is C=C[C@@H](C)[C@](C)(O)CCCCCC.
What is the InChIKey of (3R,4R)-3,4-dimethyldec-1-en-4-ol?
The InChIKey is AWCUIMMQNFZKDC-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H24O/c1-5-7-8-9-10-12(4,13)11(3)6-2/h6,11,13H,2,5,7-10H2,1,3-4H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-3,4-dimethyldec-1-en-4-ol?
(3R,4R)-3,4-dimethyldec-1-en-4-ol has a molecular weight of 184.32 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dimethyldec-1-en-4-ol is sourced from PubChem (CID 170849264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).