1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene

C20H34O2 — CID 123183893

IUPAC1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene
SMILESCCOC(C)Oc1ccc(C(CC(C)CC)C(C)(C)C)cc1
InChIInChI=1S/C20H34O2/c1-8-15(3)14-19(20(5,6)7)17-10-12-18(13-11-17)22-16(4)21-9-2/h10-13,15-16,19H,8-9,14H2,1-7H3
InChIKeyJBCYSGVVYLPESV-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.01
Rot. Bonds8

About 1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene

1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene (PubChem CID 123183893) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene.

Molecular Properties

Compound Name1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene
PubChem CID123183893
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene
SMILESCCOC(C)Oc1ccc(C(CC(C)CC)C(C)(C)C)cc1
InChIInChI=1S/C20H34O2/c1-8-15(3)14-19(20(5,6)7)17-10-12-18(13-11-17)22-16(4)21-9-2/h10-13,15-16,19H,8-9,14H2,1-7H3
InChIKeyJBCYSGVVYLPESV-UHFFFAOYSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene
CID 144677187
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene
CID 123503822
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
3-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]propanal
CID 143952563
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
4-(1-ethoxyethoxy)aniline
CID 139920192
2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol
CID 11379114
4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
CID 23556512
1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene
CID 90780259
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene?
The IUPAC name of 1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene (CID 123183893) is 1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene.
What is the SMILES notation for 1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene?
The canonical SMILES for 1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene is CCOC(C)Oc1ccc(C(CC(C)CC)C(C)(C)C)cc1.
What is the InChIKey of 1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene?
The InChIKey is JBCYSGVVYLPESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-8-15(3)14-19(20(5,6)7)17-10-12-18(13-11-17)22-16(4)21-9-2/h10-13,15-16,19H,8-9,14H2,1-7H3.
What are the key properties of 1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene?
1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene has a molecular weight of 306.49 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene is sourced from PubChem (CID 123183893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).