[(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol

C9H16O — CID 12754466

IUPAC[(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol
SMILESC=C1[C@@H](CO)[C@@H]1C(C)(C)C
InChIInChI=1S/C9H16O/c1-6-7(5-10)8(6)9(2,3)4/h7-8,10H,1,5H2,2-4H3/t7-,8-/m1/s1
InChIKeyFHFFQQGPWKLNRH-HTQZYQBOSA-N
MW140.23 g/mol
LogP1.83
Rot. Bonds1

About [(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol

[(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol (PubChem CID 12754466) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is [(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol
PubChem CID12754466
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name[(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol
SMILESC=C1[C@@H](CO)[C@@H]1C(C)(C)C
InChIInChI=1S/C9H16O/c1-6-7(5-10)8(6)9(2,3)4/h7-8,10H,1,5H2,2-4H3/t7-,8-/m1/s1
InChIKeyFHFFQQGPWKLNRH-HTQZYQBOSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.83
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 [(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol?
The IUPAC name of [(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol (CID 12754466) is [(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol is C=C1[C@@H](CO)[C@@H]1C(C)(C)C.
What is the InChIKey of [(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol?
The InChIKey is FHFFQQGPWKLNRH-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16O/c1-6-7(5-10)8(6)9(2,3)4/h7-8,10H,1,5H2,2-4H3/t7-,8-/m1/s1.
What are the key properties of [(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol?
[(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol has a molecular weight of 140.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-tert-butyl-3-methylidenecyclopropyl]methanol is sourced from PubChem (CID 12754466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).