cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol

C11H20O — CID 12027036

IUPACcis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol
SMILESC=C1CC[C@@H](C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C11H20O/c1-8-5-6-9(7-10(8)12)11(2,3)4/h9-10,12H,1,5-7H2,2-4H3/t9-,10+/m1/s1
InChIKeyMKWJZCGGUSWUQL-ZJUUUORDSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds

About cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol

cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol (PubChem CID 12027036) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol
PubChem CID12027036
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Namecis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol
SMILESC=C1CC[C@@H](C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C11H20O/c1-8-5-6-9(7-10(8)12)11(2,3)4/h9-10,12H,1,5-7H2,2-4H3/t9-,10+/m1/s1
InChIKeyMKWJZCGGUSWUQL-ZJUUUORDSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol?
The IUPAC name of cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol (CID 12027036) is cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol.
What is the SMILES notation for cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol?
The canonical SMILES for cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol is C=C1CC[C@@H](C(C)(C)C)C[C@@H]1O.
What is the InChIKey of cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol?
The InChIKey is MKWJZCGGUSWUQL-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20O/c1-8-5-6-9(7-10(8)12)11(2,3)4/h9-10,12H,1,5-7H2,2-4H3/t9-,10+/m1/s1.
What are the key properties of cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol?
cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol is sourced from PubChem (CID 12027036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).