4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane

C13H22O — CID 73079157

IUPAC4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane
SMILESC#CCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C13H22O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h1,10-13H,6-9H2,2-4H3
InChIKeyKLMCWQPVBAKKBO-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.10
Rot. Bonds3

About 4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane

4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane (PubChem CID 73079157) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane
PubChem CID73079157
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane
SMILESC#CCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C13H22O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h1,10-13H,6-9H2,2-4H3
InChIKeyKLMCWQPVBAKKBO-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane
CID 144854044
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
[(2S,3R)-3-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxymethyl]-2-prop-2-ynylhex-5-ynyl] 2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 126611187
fluoro-dimethyl-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]silane
CID 10988606
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane?
The IUPAC name of 4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane (CID 73079157) is 4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane.
What is the SMILES notation for 4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane?
The canonical SMILES for 4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane is C#CCOC1CC(C)CCC1C(C)C.
What is the InChIKey of 4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane?
The InChIKey is KLMCWQPVBAKKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h1,10-13H,6-9H2,2-4H3.
What are the key properties of 4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane?
4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane has a molecular weight of 194.32 g/mol, XLogP of 3.10, 3 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-prop-2-ynoxycyclohexane is sourced from PubChem (CID 73079157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).