[3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene

C19H32O2 — CID 139942960

IUPAC[3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene
SMILESCOCC(CCC(C)C)(COC)C(C)(C)c1ccccc1
InChIInChI=1S/C19H32O2/c1-16(2)12-13-19(14-20-5,15-21-6)18(3,4)17-10-8-7-9-11-17/h7-11,16H,12-15H2,1-6H3
InChIKeyGTXXQMOPSWCIQN-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.68
Rot. Bonds9

About [3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene

[3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene (PubChem CID 139942960) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is [3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene.

Molecular Properties

Compound Name[3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene
PubChem CID139942960
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name[3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene
SMILESCOCC(CCC(C)C)(COC)C(C)(C)c1ccccc1
InChIInChI=1S/C19H32O2/c1-16(2)12-13-19(14-20-5,15-21-6)18(3,4)17-10-8-7-9-11-17/h7-11,16H,12-15H2,1-6H3
InChIKeyGTXXQMOPSWCIQN-UHFFFAOYSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
2,3,6-trimethylheptan-2-ylbenzene
CID 20588991
3-hydroxy-4-methoxy-2-methyl-3-phenylbutanoic acid
CID 103465941
5-methyl-2,2-diphenylhexanamide;hydrochloride
CID 175870176
(6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene
CID 170451960
1-methoxy-3-methyl-2-phenylpentan-2-ol
CID 103465659
2-hydroxy-5-methyl-2-phenylhexanenitrile
CID 162405988
[1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene
CID 70016108
[1-bromo-2-(3-methylbutoxy)propan-2-yl]benzene
CID 114772949
2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride
CID 87162719
1-methoxy-2-phenylpentan-2-ol
CID 79566426
2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565

Frequently Asked Questions

What is the IUPAC name of [3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene?
The IUPAC name of [3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene (CID 139942960) is [3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene.
What is the SMILES notation for [3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene?
The canonical SMILES for [3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene is COCC(CCC(C)C)(COC)C(C)(C)c1ccccc1.
What is the InChIKey of [3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene?
The InChIKey is GTXXQMOPSWCIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-16(2)12-13-19(14-20-5,15-21-6)18(3,4)17-10-8-7-9-11-17/h7-11,16H,12-15H2,1-6H3.
What are the key properties of [3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene?
[3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene has a molecular weight of 292.46 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene is sourced from PubChem (CID 139942960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).