2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran

C14H26OS — CID 142050979

IUPAC2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran
SMILESCC1(C)CCCCCS1.CC1=CCCCO1
InChIInChI=1S/C8H16S.C6H10O/c1-8(2)6-4-3-5-7-9-8;1-6-4-2-3-5-7-6/h3-7H2,1-2H3;4H,2-3,5H2,1H3
InChIKeyWUWNFQQLCQHSPW-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.77
Rot. Bonds

About 2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran

2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran (PubChem CID 142050979) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is 2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran
PubChem CID142050979
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran
SMILESCC1(C)CCCCCS1.CC1=CCCCO1
InChIInChI=1S/C8H16S.C6H10O/c1-8(2)6-4-3-5-7-9-8;1-6-4-2-3-5-7-6/h3-7H2,1-2H3;4H,2-3,5H2,1H3
InChIKeyWUWNFQQLCQHSPW-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethylthiepane;6-methyl-3,4-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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran (CID 142050979) is 2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran is CC1(C)CCCCCS1.CC1=CCCCO1.
What is the InChIKey of 2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran?
The InChIKey is WUWNFQQLCQHSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S.C6H10O/c1-8(2)6-4-3-5-7-9-8;1-6-4-2-3-5-7-6/h3-7H2,1-2H3;4H,2-3,5H2,1H3.
What are the key properties of 2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran?
2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran has a molecular weight of 242.43 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylthiepane;6-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 142050979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).