1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene

C23H38O — CID 140907989

IUPAC1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene
SMILESCC(C)(C)Cc1ccc(COCC2CCC(CC(C)(C)C)C2)cc1
InChIInChI=1S/C23H38O/c1-22(2,3)14-18-7-9-19(10-8-18)16-24-17-21-12-11-20(13-21)15-23(4,5)6/h7-10,20-21H,11-17H2,1-6H3
InChIKeyCKNMPCPUYXDHNE-UHFFFAOYSA-N
MW330.56 g/mol
LogP6.64
Rot. Bonds6

About 1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene

1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene (PubChem CID 140907989) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene
PubChem CID140907989
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Name1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene
SMILESCC(C)(C)Cc1ccc(COCC2CCC(CC(C)(C)C)C2)cc1
InChIInChI=1S/C23H38O/c1-22(2,3)14-18-7-9-19(10-8-18)16-24-17-21-12-11-20(13-21)15-23(4,5)6/h7-10,20-21H,11-17H2,1-6H3
InChIKeyCKNMPCPUYXDHNE-UHFFFAOYSA-N
XLogP6.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-dimethylpropyl)-1-[[4-(2,2-dimethylpropyl)phenyl]methoxymethyl]azetidine
CID 166004675
1-(cyclopropylmethoxymethyl)-4-(2-methylpropyl)benzene
CID 146471368
4-[(3-methylcyclohexyl)methoxymethyl]aniline
CID 114197020
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide
CID 68767831
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid
CID 105344863
4-[(4-ethylphenyl)methoxymethyl]piperidine
CID 55060614
N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 105349885
[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene
CID 89289517
5-(cyclopropylmethoxymethyl)-2-ethylpyridine
CID 177014000

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene (CID 140907989) is 1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene is CC(C)(C)Cc1ccc(COCC2CCC(CC(C)(C)C)C2)cc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene?
The InChIKey is CKNMPCPUYXDHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O/c1-22(2,3)14-18-7-9-19(10-8-18)16-24-17-21-12-11-20(13-21)15-23(4,5)6/h7-10,20-21H,11-17H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene?
1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene has a molecular weight of 330.56 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene is sourced from PubChem (CID 140907989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).