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

C14H26O — CID 134857961

IUPAC(1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCCC=CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C14H26O/c1-5-6-9-15-14-10-12(4)7-8-13(14)11(2)3/h6,9,11-14H,5,7-8,10H2,1-4H3/t12-,13+,14-/m1/s1
InChIKeyKZNPZFIZDOPLBQ-HZSPNIEDSA-N
MW210.36 g/mol
LogP4.39
Rot. Bonds4

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

(1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 134857961) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane
PubChem CID134857961
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCCC=CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C14H26O/c1-5-6-9-15-14-10-12(4)7-8-13(14)11(2)3/h6,9,11-14H,5,7-8,10H2,1-4H3/t12-,13+,14-/m1/s1
InChIKeyKZNPZFIZDOPLBQ-HZSPNIEDSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.39
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)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of (1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane (CID 134857961) is (1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for (1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane is CCC=CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is KZNPZFIZDOPLBQ-HZSPNIEDSA-N. The full InChI is InChI=1S/C14H26O/c1-5-6-9-15-14-10-12(4)7-8-13(14)11(2)3/h6,9,11-14H,5,7-8,10H2,1-4H3/t12-,13+,14-/m1/s1.
What are the key properties of (1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane?
(1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 210.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 134857961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).