3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane

C16H34O — CID 91137551

IUPAC3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane
SMILESCC(C)OCCC(C)(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C16H34O/c1-13(2)17-11-10-15(6,7)16(8,9)12-14(3,4)5/h13H,10-12H2,1-9H3
InChIKeyYDEZEPHKCNNJSP-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.29
Rot. Bonds6

About 3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane

3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane (PubChem CID 91137551) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane.

Molecular Properties

Compound Name3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane
PubChem CID91137551
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane
SMILESCC(C)OCCC(C)(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C16H34O/c1-13(2)17-11-10-15(6,7)16(8,9)12-14(3,4)5/h13H,10-12H2,1-9H3
InChIKeyYDEZEPHKCNNJSP-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-4-propan-2-yloxybutan-1-ol
CID 66023618
4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane
CID 176777068
1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene
CID 123676753
3,5,5-trimethyl-1-(2-propan-2-yloxyethoxy)hexane
CID 138626060
2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 106506251
N-tert-butyl-2,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 83150555
2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640415
4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane
CID 88972268
3,3-bis(chloromethyl)-1-propan-2-yloxypentane
CID 79447328
2-methyl-4-[2,3,3,4-tetramethyl-5-(2,3,3-trimethyl-5-propan-2-yloxypentan-2-yl)oxypentan-2-yl]oxybutan-2-ol
CID 90349773
2-methyl-4-[2,3,3-trimethyl-5-(2,3,3-trimethyl-5-propan-2-yloxypentan-2-yl)oxyhexan-2-yl]oxybutan-2-ol
CID 87098256
3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane
CID 90221696

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane?
The IUPAC name of 3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane (CID 91137551) is 3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane.
What is the SMILES notation for 3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane?
The canonical SMILES for 3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane is CC(C)OCCC(C)(C)C(C)(C)CC(C)(C)C.
What is the InChIKey of 3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane?
The InChIKey is YDEZEPHKCNNJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-13(2)17-11-10-15(6,7)16(8,9)12-14(3,4)5/h13H,10-12H2,1-9H3.
What are the key properties of 3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane?
3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane has a molecular weight of 242.45 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane is sourced from PubChem (CID 91137551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).