(1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol

C11H18O — CID 163638137

IUPAC(1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol
SMILESC=C1C[C@H](C)CC/C1=C(\O)CC
InChIInChI=1S/C11H18O/c1-4-11(12)10-6-5-8(2)7-9(10)3/h8,12H,3-7H2,1-2H3/b11-10+/t8-/m1/s1
InChIKeyIBYXOBNIGJUKOX-IRXCETGXSA-N
MW166.26 g/mol
LogP3.58
Rot. Bonds1

About (1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol

(1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol (PubChem CID 163638137) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol.

Molecular Properties

Compound Name(1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol
PubChem CID163638137
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol
SMILESC=C1C[C@H](C)CC/C1=C(\O)CC
InChIInChI=1S/C11H18O/c1-4-11(12)10-6-5-8(2)7-9(10)3/h8,12H,3-7H2,1-2H3/b11-10+/t8-/m1/s1
InChIKeyIBYXOBNIGJUKOX-IRXCETGXSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
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 (1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol?
The IUPAC name of (1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol (CID 163638137) is (1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol.
What is the SMILES notation for (1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol?
The canonical SMILES for (1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol is C=C1C[C@H](C)CC/C1=C(\O)CC.
What is the InChIKey of (1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol?
The InChIKey is IBYXOBNIGJUKOX-IRXCETGXSA-N. The full InChI is InChI=1S/C11H18O/c1-4-11(12)10-6-5-8(2)7-9(10)3/h8,12H,3-7H2,1-2H3/b11-10+/t8-/m1/s1.
What are the key properties of (1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol?
(1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol is sourced from PubChem (CID 163638137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).