2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene

C22H32O2 — CID 153323329

IUPAC2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene
SMILESCc1c(C)c(OCCC(C)C)c2ccccc2c1OCCC(C)C
InChIInChI=1S/C22H32O2/c1-15(2)11-13-23-21-17(5)18(6)22(24-14-12-16(3)4)20-10-8-7-9-19(20)21/h7-10,15-16H,11-14H2,1-6H3
InChIKeyZCFQOOPBFHTIHS-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.31
Rot. Bonds8

About 2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene

2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene (PubChem CID 153323329) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene.

Molecular Properties

Compound Name2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene
PubChem CID153323329
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene
SMILESCc1c(C)c(OCCC(C)C)c2ccccc2c1OCCC(C)C
InChIInChI=1S/C22H32O2/c1-15(2)11-13-23-21-17(5)18(6)22(24-14-12-16(3)4)20-10-8-7-9-19(20)21/h7-10,15-16H,11-14H2,1-6H3
InChIKeyZCFQOOPBFHTIHS-UHFFFAOYSA-N
XLogP6.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
[2-(3-methylbutoxy)naphthalen-1-yl]methanol
CID 43505713
1-ethyl-2,3-bis(3-methylbutoxy)benzene
CID 91472485
1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
1-(4-methylpentoxy)naphthalene
CID 83168126
4-(3-methylbutoxy)naphthalene-1-sulfonamide
CID 43164550
1,3,5-trichloro-2-(3-methylbutoxy)benzene
CID 91691972
benzene-1,2-diol;3-methyl-1-(3-methylbutoxy)butane
CID 175551750
4-(3-methylbutoxy)-1H-indole
CID 141124794
2-[2-(3-methylbutoxy)phenyl]phenol
CID 58560440
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
[3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine
CID 168529237

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene?
The IUPAC name of 2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene (CID 153323329) is 2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene.
What is the SMILES notation for 2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene?
The canonical SMILES for 2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene is Cc1c(C)c(OCCC(C)C)c2ccccc2c1OCCC(C)C.
What is the InChIKey of 2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene?
The InChIKey is ZCFQOOPBFHTIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2/c1-15(2)11-13-23-21-17(5)18(6)22(24-14-12-16(3)4)20-10-8-7-9-19(20)21/h7-10,15-16H,11-14H2,1-6H3.
What are the key properties of 2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene?
2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene has a molecular weight of 328.50 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene is sourced from PubChem (CID 153323329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).