4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine

C16H20S — CID 143809053

IUPAC4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine
SMILESCC1C=C2C(=CCS1)C(C)(C)C1=C2CCC=C1
InChIInChI=1S/C16H20S/c1-11-10-13-12-6-4-5-7-14(12)16(2,3)15(13)8-9-17-11/h5,7-8,10-11H,4,6,9H2,1-3H3
InChIKeyNHOCBDOAUGTTLH-UHFFFAOYSA-N
MW244.40 g/mol
LogP4.66
Rot. Bonds

About 4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine

4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine (PubChem CID 143809053) has the molecular formula C16H20S and a molecular weight of 244.40 g/mol. Its IUPAC name is 4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine.

Molecular Properties

Compound Name4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine
PubChem CID143809053
Molecular FormulaC16H20S
Molecular Weight244.40 g/mol
Exact Mass244.13
IUPAC Name4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine
SMILESCC1C=C2C(=CCS1)C(C)(C)C1=C2CCC=C1
InChIInChI=1S/C16H20S/c1-11-10-13-12-6-4-5-7-14(12)16(2,3)15(13)8-9-17-11/h5,7-8,10-11H,4,6,9H2,1-3H3
InChIKeyNHOCBDOAUGTTLH-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine with MolForge

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Launch Full Analysis

Related Compounds

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2-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfanyl-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 9851026
2-[(E)-2-ethylsulfanylethenyl]-1,3,3-trimethylcyclohexene
CID 13685566
1,3,3-trimethyl-2-[(1E,3E,5E,7E)-3,5,7-trimethyl-9-[(2E,4E,6E,8E)-3,5,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfanylnona-1,3,5,7-tetraenyl]cyclohexene
CID 21348934
2-[9-[3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfanyl-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 54046628
2-(2-Ethylsulfanylethenyl)-1,3,3-trimethylcyclohexene
CID 54130874
3-Methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene
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1,3-Ditert-butyl-6-(cyclopenta-1,3-dien-1-ylmethyl)-6-ethylsulfanylcyclohexa-1,3-diene
CID 70017455
1,3,3-Trimethyl-2-[3,5,7-trimethyl-9-[3,5,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfanylnona-1,3,5,7-tetraenyl]cyclohexene
CID 73782487

Frequently Asked Questions

What is the IUPAC name of 4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine?
The IUPAC name of 4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine (CID 143809053) is 4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine.
What is the SMILES notation for 4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine?
The canonical SMILES for 4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine is CC1C=C2C(=CCS1)C(C)(C)C1=C2CCC=C1.
What is the InChIKey of 4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine?
The InChIKey is NHOCBDOAUGTTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20S/c1-11-10-13-12-6-4-5-7-14(12)16(2,3)15(13)8-9-17-11/h5,7-8,10-11H,4,6,9H2,1-3H3.
What are the key properties of 4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine?
4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine has a molecular weight of 244.40 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,10-trimethyl-2,4,6,7-tetrahydroindeno[1,2-d]thiepine is sourced from PubChem (CID 143809053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).