(1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane

C17H32O — CID 15373905

IUPAC(1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane
SMILESC=CCC(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)C
InChIInChI=1S/C17H32O/c1-7-8-16(13(4)5)18-17-11-14(6)9-10-15(17)12(2)3/h7,12-17H,1,8-11H2,2-6H3/t14-,15+,16?,17-/m1/s1
InChIKeyALKZYFLWFVCOQE-FCLJQHQZSA-N
MW252.44 g/mol
LogP5.06
Rot. Bonds6

About (1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane

(1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane (PubChem CID 15373905) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane
PubChem CID15373905
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane
SMILESC=CCC(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)C
InChIInChI=1S/C17H32O/c1-7-8-16(13(4)5)18-17-11-14(6)9-10-15(17)12(2)3/h7,12-17H,1,8-11H2,2-6H3/t14-,15+,16?,17-/m1/s1
InChIKeyALKZYFLWFVCOQE-FCLJQHQZSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane with MolForge

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Related Compounds

(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770
(1S,2R,4R)-2-(1-hydroperoxy-2-methylidenebut-3-enoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 101035374
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
CID 101270451
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane
CID 16695980
(5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane
CID 584302
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol
CID 91460729
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane?
The IUPAC name of (1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane (CID 15373905) is (1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane?
The canonical SMILES for (1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane is C=CCC(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)C.
What is the InChIKey of (1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane?
The InChIKey is ALKZYFLWFVCOQE-FCLJQHQZSA-N. The full InChI is InChI=1S/C17H32O/c1-7-8-16(13(4)5)18-17-11-14(6)9-10-15(17)12(2)3/h7,12-17H,1,8-11H2,2-6H3/t14-,15+,16?,17-/m1/s1.
What are the key properties of (1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane?
(1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane has a molecular weight of 252.44 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-4-methyl-2-(2-methylhex-5-en-3-yloxy)-1-propan-2-ylcyclohexane is sourced from PubChem (CID 15373905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).