1,1,3,3-tetramethyl-5-propoxycyclohexane

C13H26O — CID 23521240

IUPAC1,1,3,3-tetramethyl-5-propoxycyclohexane
SMILESCCCOC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H26O/c1-6-7-14-11-8-12(2,3)10-13(4,5)9-11/h11H,6-10H2,1-5H3
InChIKeyOREZAVIZMHSUNJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.02
Rot. Bonds3

About 1,1,3,3-tetramethyl-5-propoxycyclohexane

1,1,3,3-tetramethyl-5-propoxycyclohexane (PubChem CID 23521240) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-5-propoxycyclohexane.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-5-propoxycyclohexane
PubChem CID23521240
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1,1,3,3-tetramethyl-5-propoxycyclohexane
SMILESCCCOC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H26O/c1-6-7-14-11-8-12(2,3)10-13(4,5)9-11/h11H,6-10H2,1-5H3
InChIKeyOREZAVIZMHSUNJ-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-5-propoxycyclohexane?
The IUPAC name of 1,1,3,3-tetramethyl-5-propoxycyclohexane (CID 23521240) is 1,1,3,3-tetramethyl-5-propoxycyclohexane.
What is the SMILES notation for 1,1,3,3-tetramethyl-5-propoxycyclohexane?
The canonical SMILES for 1,1,3,3-tetramethyl-5-propoxycyclohexane is CCCOC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1,1,3,3-tetramethyl-5-propoxycyclohexane?
The InChIKey is OREZAVIZMHSUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-6-7-14-11-8-12(2,3)10-13(4,5)9-11/h11H,6-10H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-5-propoxycyclohexane?
1,1,3,3-tetramethyl-5-propoxycyclohexane has a molecular weight of 198.35 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-5-propoxycyclohexane is sourced from PubChem (CID 23521240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).