(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane

C13H24O — CID 10888855

IUPAC(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane
SMILESC=C(C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C13H24O/c1-9(2)12-7-6-11(5)8-13(12)14-10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3/t11-,12+,13-/m1/s1
InChIKeySXIYBZBVNUGSJG-FRRDWIJNSA-N
MW196.33 g/mol
LogP4.00
Rot. Bonds3

About (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane

(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane (PubChem CID 10888855) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane.

Molecular Properties

Compound Name(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane
PubChem CID10888855
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane
SMILESC=C(C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C13H24O/c1-9(2)12-7-6-11(5)8-13(12)14-10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3/t11-,12+,13-/m1/s1
InChIKeySXIYBZBVNUGSJG-FRRDWIJNSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane?
The IUPAC name of (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane (CID 10888855) is (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane.
What is the SMILES notation for (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane?
The canonical SMILES for (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane is C=C(C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane?
The InChIKey is SXIYBZBVNUGSJG-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H24O/c1-9(2)12-7-6-11(5)8-13(12)14-10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3/t11-,12+,13-/m1/s1.
What are the key properties of (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane?
(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane has a molecular weight of 196.33 g/mol, XLogP of 4.00, 3 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-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane is sourced from PubChem (CID 10888855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).