(6S)-6-hexyl-3,6-dihydro-2H-pyran

C11H20O — CID 134971947

IUPAC(6S)-6-hexyl-3,6-dihydro-2H-pyran
SMILESCCCCCC[C@H]1C=CCCO1
InChIInChI=1S/C11H20O/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6,9,11H,2-5,7-8,10H2,1H3/t11-/m0/s1
InChIKeySDRPHTZYDOLLIW-NSHDSACASA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds5

About (6S)-6-hexyl-3,6-dihydro-2H-pyran

(6S)-6-hexyl-3,6-dihydro-2H-pyran (PubChem CID 134971947) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (6S)-6-hexyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(6S)-6-hexyl-3,6-dihydro-2H-pyran
PubChem CID134971947
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(6S)-6-hexyl-3,6-dihydro-2H-pyran
SMILESCCCCCC[C@H]1C=CCCO1
InChIInChI=1S/C11H20O/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6,9,11H,2-5,7-8,10H2,1H3/t11-/m0/s1
InChIKeySDRPHTZYDOLLIW-NSHDSACASA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
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 (6S)-6-hexyl-3,6-dihydro-2H-pyran 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

2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
9-Oxabicyclo(6.1.0)non-2-ene
CID 5875583
trans-11S,12S-Epoxy-6Z,9Z-heneicosadiene
CID 10494907
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
(3R)-3-heptyl-3,6-dihydro-1,2-dioxine
CID 12162655
(3R,6S)-3-heptyl-6-propyl-3,6-dihydro-1,2-dioxine
CID 16727772
(2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane
CID 163189087
CID 110916
CID 110916
3-Ethoxycyclohexene
CID 285902
Tert-butyl cyclohex-2-en-1-yl ether
CID 287916
3,3'-Oxydi(cyclohex-1-ene)
CID 12322414

Frequently Asked Questions

What is the IUPAC name of (6S)-6-hexyl-3,6-dihydro-2H-pyran?
The IUPAC name of (6S)-6-hexyl-3,6-dihydro-2H-pyran (CID 134971947) is (6S)-6-hexyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (6S)-6-hexyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (6S)-6-hexyl-3,6-dihydro-2H-pyran is CCCCCC[C@H]1C=CCCO1.
What is the InChIKey of (6S)-6-hexyl-3,6-dihydro-2H-pyran?
The InChIKey is SDRPHTZYDOLLIW-NSHDSACASA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6,9,11H,2-5,7-8,10H2,1H3/t11-/m0/s1.
What are the key properties of (6S)-6-hexyl-3,6-dihydro-2H-pyran?
(6S)-6-hexyl-3,6-dihydro-2H-pyran has a molecular weight of 168.28 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-hexyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134971947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).