(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane

C11H21ClO — CID 2724987

IUPAC(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCl
InChIInChI=1S/C11H21ClO/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyXOPLTFUYFXWFGB-OUAUKWLOSA-N
MW204.74 g/mol
LogP3.66
Rot. Bonds3

About (1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane

(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 2724987) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is (1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
PubChem CID2724987
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCl
InChIInChI=1S/C11H21ClO/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyXOPLTFUYFXWFGB-OUAUKWLOSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
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
(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
4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane
CID 73079157
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
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 (1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of (1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane (CID 2724987) is (1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for (1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCl.
What is the InChIKey of (1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is XOPLTFUYFXWFGB-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H21ClO/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1.
What are the key properties of (1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane?
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 204.74 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 2724987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).