4-methyl-1-propan-2-yl-2-propoxycyclohexane

C13H26O — CID 54499043

IUPAC4-methyl-1-propan-2-yl-2-propoxycyclohexane
SMILESCCCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C13H26O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyYBDOZUZABCLGKC-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.87
Rot. Bonds4

About 4-methyl-1-propan-2-yl-2-propoxycyclohexane

4-methyl-1-propan-2-yl-2-propoxycyclohexane (PubChem CID 54499043) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-2-propoxycyclohexane.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-2-propoxycyclohexane
PubChem CID54499043
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-methyl-1-propan-2-yl-2-propoxycyclohexane
SMILESCCCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C13H26O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyYBDOZUZABCLGKC-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050
5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
CID 54966296
N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]pentan-2-amine
CID 55194368
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
CID 55088055

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-2-propoxycyclohexane?
The IUPAC name of 4-methyl-1-propan-2-yl-2-propoxycyclohexane (CID 54499043) is 4-methyl-1-propan-2-yl-2-propoxycyclohexane.
What is the SMILES notation for 4-methyl-1-propan-2-yl-2-propoxycyclohexane?
The canonical SMILES for 4-methyl-1-propan-2-yl-2-propoxycyclohexane is CCCOC1CC(C)CCC1C(C)C.
What is the InChIKey of 4-methyl-1-propan-2-yl-2-propoxycyclohexane?
The InChIKey is YBDOZUZABCLGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 4-methyl-1-propan-2-yl-2-propoxycyclohexane?
4-methyl-1-propan-2-yl-2-propoxycyclohexane has a molecular weight of 198.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-2-propoxycyclohexane is sourced from PubChem (CID 54499043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).