2,2,4,6,6-pentamethyloxepane

C11H22O — CID 176567724

IUPAC2,2,4,6,6-pentamethyloxepane
SMILESCC1CC(C)(C)COC(C)(C)C1
InChIInChI=1S/C11H22O/c1-9-6-10(2,3)8-12-11(4,5)7-9/h9H,6-8H2,1-5H3
InChIKeyRFEIGRXJMBHJJX-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds

About 2,2,4,6,6-pentamethyloxepane

2,2,4,6,6-pentamethyloxepane (PubChem CID 176567724) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,2,4,6,6-pentamethyloxepane.

Molecular Properties

Compound Name2,2,4,6,6-pentamethyloxepane
PubChem CID176567724
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,2,4,6,6-pentamethyloxepane
SMILESCC1CC(C)(C)COC(C)(C)C1
InChIInChI=1S/C11H22O/c1-9-6-10(2,3)8-12-11(4,5)7-9/h9H,6-8H2,1-5H3
InChIKeyRFEIGRXJMBHJJX-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,3-trimethylcyclobutane
CID 12656861
ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974
2,2-dimethyloxirane;methanol
CID 161373463
3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane
CID 24971562
CID 58818162
CID 58818162
4,6,6-trimethyloxepane-2-carbaldehyde
CID 174486821
2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane
CID 59482332
(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane
CID 124582887
(2,4,6,6-tetramethyloxan-2-yl)methanol
CID 144570256
diiodovanadium;2,2-dimethyloxirane
CID 159184352
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
4,6,6-trimethyloxazinane
CID 144764543

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,6-pentamethyloxepane?
The IUPAC name of 2,2,4,6,6-pentamethyloxepane (CID 176567724) is 2,2,4,6,6-pentamethyloxepane.
What is the SMILES notation for 2,2,4,6,6-pentamethyloxepane?
The canonical SMILES for 2,2,4,6,6-pentamethyloxepane is CC1CC(C)(C)COC(C)(C)C1.
What is the InChIKey of 2,2,4,6,6-pentamethyloxepane?
The InChIKey is RFEIGRXJMBHJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-9-6-10(2,3)8-12-11(4,5)7-9/h9H,6-8H2,1-5H3.
What are the key properties of 2,2,4,6,6-pentamethyloxepane?
2,2,4,6,6-pentamethyloxepane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,6-pentamethyloxepane is sourced from PubChem (CID 176567724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).