2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine

C15H22O — CID 11806168

IUPAC2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine
SMILESCc1ccc2c(c1)OC(C)(C)CCCC2C
InChIInChI=1S/C15H22O/c1-11-7-8-13-12(2)6-5-9-15(3,4)16-14(13)10-11/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyQULTWZAMEKZDET-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.44
Rot. Bonds

About 2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine

2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine (PubChem CID 11806168) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine.

Molecular Properties

Compound Name2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine
PubChem CID11806168
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine
SMILESCc1ccc2c(c1)OC(C)(C)CCCC2C
InChIInChI=1S/C15H22O/c1-11-7-8-13-12(2)6-5-9-15(3,4)16-14(13)10-11/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyQULTWZAMEKZDET-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;ethane
CID 143826176
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CID 42220633
2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 46736559
3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride
CID 82020702
N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461776
1-(3-methylphenyl)-3-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100719206
N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82461769
1-(4-cyclopentyloxyphenyl)-3-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100720242
1-(4-chlorophenyl)-3-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100719343
(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 104946615
(3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 95118604
2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82461781

Frequently Asked Questions

What is the IUPAC name of 2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine?
The IUPAC name of 2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine (CID 11806168) is 2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine.
What is the SMILES notation for 2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine?
The canonical SMILES for 2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine is Cc1ccc2c(c1)OC(C)(C)CCCC2C.
What is the InChIKey of 2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine?
The InChIKey is QULTWZAMEKZDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11-7-8-13-12(2)6-5-9-15(3,4)16-14(13)10-11/h7-8,10,12H,5-6,9H2,1-4H3.
What are the key properties of 2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine?
2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine has a molecular weight of 218.34 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine is sourced from PubChem (CID 11806168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).