trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol

C11H22O2 — CID 135060296

IUPACtrans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol
SMILESCC(C)(C)[C@H]1[C@H](C(C)(C)C)C1(O)O
InChIInChI=1S/C11H22O2/c1-9(2,3)7-8(10(4,5)6)11(7,12)13/h7-8,12-13H,1-6H3/t7-,8-/m1/s1
InChIKeyNCUQKEBYEFTSGM-HTQZYQBOSA-N
MW186.29 g/mol
LogP2.01
Rot. Bonds

About trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol

trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol (PubChem CID 135060296) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol.

Molecular Properties

Compound Nametrans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol
PubChem CID135060296
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Nametrans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol
SMILESCC(C)(C)[C@H]1[C@H](C(C)(C)C)C1(O)O
InChIInChI=1S/C11H22O2/c1-9(2,3)7-8(10(4,5)6)11(7,12)13/h7-8,12-13H,1-6H3/t7-,8-/m1/s1
InChIKeyNCUQKEBYEFTSGM-HTQZYQBOSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[(1S)-2,2-dimethylcyclopropyl]propan-1-ol
CID 101771036
2,2-Dimethyl-3-propan-2-ylheptan-3-ol
CID 13525913
1-Cyclopropyl-3-ethyl-1-fluoro-4,4-dimethylpentan-1-ol
CID 117656800
(3S)-1-cyclopropyl-3-ethyl-1-fluoro-4,4-dimethylpentan-1-ol
CID 117656801
9-Dimethyl-2-cyclopropyl-2-decanol
CID 123608266
Isobutyl ethyl propanol alcohol
CID 129712113
1-[(1R)-2,2,3-trimethylcyclopropyl]propan-1-ol
CID 134855437
(1S)-1-[(1S)-1-deuterio-2,2,3-trimethylcyclopropyl]propan-1-ol
CID 134855460
(1S)-1-[(1S)-2,2,3-trimethylcyclopropyl]propan-1-ol
CID 134855496
(1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol
CID 134970380
trans-(2S,3S)-2,3-ditert-butyl-1-methoxycyclopropan-1-ol
CID 162399740
2,2-Dimethyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol
CID 15262045

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol?
The IUPAC name of trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol (CID 135060296) is trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol.
What is the SMILES notation for trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol?
The canonical SMILES for trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol is CC(C)(C)[C@H]1[C@H](C(C)(C)C)C1(O)O.
What is the InChIKey of trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol?
The InChIKey is NCUQKEBYEFTSGM-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2,3)7-8(10(4,5)6)11(7,12)13/h7-8,12-13H,1-6H3/t7-,8-/m1/s1.
What are the key properties of trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol?
trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol has a molecular weight of 186.29 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol is sourced from PubChem (CID 135060296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).