6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane]

C19H27NO — CID 62522506

IUPAC6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane]
SMILESCC1(C)CC2NC3(CCCCC3)COC2c2ccccc21
InChIInChI=1S/C19H27NO/c1-18(2)12-16-17(14-8-4-5-9-15(14)18)21-13-19(20-16)10-6-3-7-11-19/h4-5,8-9,16-17,20H,3,6-7,10-13H2,1-2H3
InChIKeyJFLRHBJLMJMRTL-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.10
Rot. Bonds

About 6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane]

6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane] (PubChem CID 62522506) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane].

Molecular Properties

Compound Name6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane]
PubChem CID62522506
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane]
SMILESCC1(C)CC2NC3(CCCCC3)COC2c2ccccc21
InChIInChI=1S/C19H27NO/c1-18(2)12-16-17(14-8-4-5-9-15(14)18)21-13-19(20-16)10-6-3-7-11-19/h4-5,8-9,16-17,20H,3,6-7,10-13H2,1-2H3
InChIKeyJFLRHBJLMJMRTL-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane] with MolForge

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Related Compounds

spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane]
CID 62520727
spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]
CID 62517000
2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine
CID 55171616
7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane]
CID 115824706
1-[(1R)-1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone
CID 1296486
(1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene
CID 149388783
5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]
CID 134969399
1-ethynyl-3,3-dimethyl-1,2-dihydroindene
CID 142633929
3-[2-(difluoromethoxy)phenyl]-4-oxa-1-azaspiro[5.5]undecane
CID 62522154
3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene
CID 144661541
1-cyclohexyl-2-(1-methylcyclopentyl)benzene
CID 54179575
4,4-dimethyl-1,2a,3,8b-tetrahydrocyclobuta[a]naphthalen-2-one
CID 81421411

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane]?
The IUPAC name of 6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane] (CID 62522506) is 6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane].
What is the SMILES notation for 6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane]?
The canonical SMILES for 6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane] is CC1(C)CC2NC3(CCCCC3)COC2c2ccccc21.
What is the InChIKey of 6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane]?
The InChIKey is JFLRHBJLMJMRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-18(2)12-16-17(14-8-4-5-9-15(14)18)21-13-19(20-16)10-6-3-7-11-19/h4-5,8-9,16-17,20H,3,6-7,10-13H2,1-2H3.
What are the key properties of 6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane]?
6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane] has a molecular weight of 285.43 g/mol, XLogP of 4.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane] is sourced from PubChem (CID 62522506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).