(1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol

C20H28O — CID 11231456

IUPAC(1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol
SMILESCCCCCCCC/C=C/[C@H]1C=Cc2ccccc2[C@H]1O
InChIInChI=1S/C20H28O/c1-2-3-4-5-6-7-8-9-13-18-16-15-17-12-10-11-14-19(17)20(18)21/h9-16,18,20-21H,2-8H2,1H3/b13-9+/t18-,20-/m0/s1
InChIKeyAIICAKOUERDJIB-LMRKYDFJSA-N
MW284.44 g/mol
LogP5.67
Rot. Bonds8

About (1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol

(1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol (PubChem CID 11231456) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is (1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol
PubChem CID11231456
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name(1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol
SMILESCCCCCCCC/C=C/[C@H]1C=Cc2ccccc2[C@H]1O
InChIInChI=1S/C20H28O/c1-2-3-4-5-6-7-8-9-13-18-16-15-17-12-10-11-14-19(17)20(18)21/h9-16,18,20-21H,2-8H2,1H3/b13-9+/t18-,20-/m0/s1
InChIKeyAIICAKOUERDJIB-LMRKYDFJSA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.67
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 (1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol
CID 135042967
1-[1-(1H-inden-1-yl)dec-1-enyl]-1H-indene
CID 151420770
CID 162143943
CID 162143943
hexyl-tris(1H-inden-1-yl)silane
CID 10837596
(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 13056069
5-(1-hydroxybutyl)-4-[(E)-oct-1-enyl]cyclopent-2-en-1-one
CID 70405925
(E,1R)-1-phenylnon-2-en-1-ol
CID 11287425
1-butyl-1H-indene;zirconium
CID 175289141
5-[(E)-non-1-enyl]cyclopenta-1,3-diene
CID 15399897
lithium;hydride;2-(3-tetradeca-1,3-dienyloxiran-2-yl)benzoic acid
CID 173001570
(E)-1-phenyloct-2-en-1-ol
CID 10822082
11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 102290615

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol (CID 11231456) is (1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol is CCCCCCCC/C=C/[C@H]1C=Cc2ccccc2[C@H]1O.
What is the InChIKey of (1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol?
The InChIKey is AIICAKOUERDJIB-LMRKYDFJSA-N. The full InChI is InChI=1S/C20H28O/c1-2-3-4-5-6-7-8-9-13-18-16-15-17-12-10-11-14-19(17)20(18)21/h9-16,18,20-21H,2-8H2,1H3/b13-9+/t18-,20-/m0/s1.
What are the key properties of (1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol?
(1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol has a molecular weight of 284.44 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 11231456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).