methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene

C25H48O2 — CID 159773776

IUPACmethane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESC.C.C.CC1CCCCO1.CC1CCCO1.CC1CCCc2ccccc21
InChIInChI=1S/C11H14.C6H12O.C5H10O.3CH4/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-6-4-2-3-5-7-6;1-5-3-2-4-6-5;;;/h2-3,6,8-9H,4-5,7H2,1H3;6H,2-5H2,1H3;5H,2-4H2,1H3;3*1H4
InChIKeyNGLPVBZCPARQKM-UHFFFAOYSA-N
MW380.66 g/mol
LogP7.80
Rot. Bonds

About methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene

methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 159773776) has the molecular formula C25H48O2 and a molecular weight of 380.66 g/mol. Its IUPAC name is methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Namemethane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID159773776
Molecular FormulaC25H48O2
Molecular Weight380.66 g/mol
Exact Mass380.37
IUPAC Namemethane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESC.C.C.CC1CCCCO1.CC1CCCO1.CC1CCCc2ccccc21
InChIInChI=1S/C11H14.C6H12O.C5H10O.3CH4/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-6-4-2-3-5-7-6;1-5-3-2-4-6-5;;;/h2-3,6,8-9H,4-5,7H2,1H3;6H,2-5H2,1H3;5H,2-4H2,1H3;3*1H4
InChIKeyNGLPVBZCPARQKM-UHFFFAOYSA-N
XLogP7.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 123902879
2-methyloxolane;toluene
CID 66810937
ethylbenzene;2-methyloxane
CID 159203752
2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)oxane
CID 11085661
fluorobenzene;(1S)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;(2S)-2-methyloxane
CID 163402354
cumene;2-methyloxane
CID 156699052
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane
CID 167480833
N-methyl-1-(oxolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65328404
8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 123348757
(2R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]oxolane
CID 11550131
6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene
CID 142292877

Frequently Asked Questions

What is the IUPAC name of methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene (CID 159773776) is methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene is C.C.C.CC1CCCCO1.CC1CCCO1.CC1CCCc2ccccc21.
What is the InChIKey of methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NGLPVBZCPARQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C6H12O.C5H10O.3CH4/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-6-4-2-3-5-7-6;1-5-3-2-4-6-5;;;/h2-3,6,8-9H,4-5,7H2,1H3;6H,2-5H2,1H3;5H,2-4H2,1H3;3*1H4.
What are the key properties of methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene?
methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 380.66 g/mol, XLogP of 7.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159773776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).