[(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol

C11H20O — CID 134854829

IUPAC[(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol
SMILESCCC1[C@@H]([C@]1(CC)CC=C)CO
InChIInChI=1S/C11H20O/c1-4-7-11(6-3)9(5-2)10(11)8-12/h4,9-10,12H,1,5-8H2,2-3H3/t9?,10-,11+/m0/s1
InChIKeyRDBVTDGWICZFDB-QXXIUIOUSA-N
MW168.28 g/mol
LogP3.20
Rot. Bonds5

About [(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol

[(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol (PubChem CID 134854829) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is [(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol
PubChem CID134854829
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name[(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol
SMILESCCC1[C@@H]([C@]1(CC)CC=C)CO
InChIInChI=1S/C11H20O/c1-4-7-11(6-3)9(5-2)10(11)8-12/h4,9-10,12H,1,5-8H2,2-3H3/t9?,10-,11+/m0/s1
InChIKeyRDBVTDGWICZFDB-QXXIUIOUSA-N
XLogP3.20
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity164

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.20
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)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol?
The IUPAC name of [(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol (CID 134854829) is [(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol is CCC1[C@@H]([C@]1(CC)CC=C)CO.
What is the InChIKey of [(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol?
The InChIKey is RDBVTDGWICZFDB-QXXIUIOUSA-N. The full InChI is InChI=1S/C11H20O/c1-4-7-11(6-3)9(5-2)10(11)8-12/h4,9-10,12H,1,5-8H2,2-3H3/t9?,10-,11+/m0/s1.
What are the key properties of [(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol?
[(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol has a molecular weight of 168.28 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2,3-diethyl-2-prop-2-enylcyclopropyl]methanol is sourced from PubChem (CID 134854829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).