1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene

C20H34O2 — CID 123693664

IUPAC1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene
SMILESCCOC(CC)Oc1ccc(C(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C20H34O2/c1-7-20(21-8-2)22-19-11-9-17(10-12-19)18(13-15(3)4)14-16(5)6/h9-12,15-16,18,20H,7-8,13-14H2,1-6H3
InChIKeyKGIDHHCTAMZJRN-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.01
Rot. Bonds10

About 1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene

1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene (PubChem CID 123693664) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene.

Molecular Properties

Compound Name1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene
PubChem CID123693664
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene
SMILESCCOC(CC)Oc1ccc(C(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C20H34O2/c1-7-20(21-8-2)22-19-11-9-17(10-12-19)18(13-15(3)4)14-16(5)6/h9-12,15-16,18,20H,7-8,13-14H2,1-6H3
InChIKeyKGIDHHCTAMZJRN-UHFFFAOYSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene
CID 144963504
1-butan-2-yl-4-(1-ethoxypropoxy)benzene;1-butan-2-yl-4-methylbenzene;4-butan-2-ylphenol
CID 91131838
1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene
CID 123503822
1-(1-chloro-4-methylpentan-2-yl)-4-ethoxybenzene
CID 112508540
1-(5-methylhexan-3-yl)-4-phenoxybenzene
CID 144899033
9-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]-2-ethoxyethyl]anthracene
CID 123742634
4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
CID 23556512
4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol
CID 87756596
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1-(5-methylhexan-3-yl)-4-(1-phenylsulfanyloxyethoxy)benzene
CID 123706540
1-(2,5-dimethylhexa-2,4-dien-3-yl)-4-(1-ethoxypropoxy)benzene
CID 88872565

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene?
The IUPAC name of 1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene (CID 123693664) is 1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene.
What is the SMILES notation for 1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene?
The canonical SMILES for 1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene is CCOC(CC)Oc1ccc(C(CC(C)C)CC(C)C)cc1.
What is the InChIKey of 1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene?
The InChIKey is KGIDHHCTAMZJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-7-20(21-8-2)22-19-11-9-17(10-12-19)18(13-15(3)4)14-16(5)6/h9-12,15-16,18,20H,7-8,13-14H2,1-6H3.
What are the key properties of 1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene?
1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene has a molecular weight of 306.49 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene is sourced from PubChem (CID 123693664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).