2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol

C9H16O — CID 102275585

IUPAC2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol
SMILESC=C[C@H]1C[C@@H]1C(C)(C)CO
InChIInChI=1S/C9H16O/c1-4-7-5-8(7)9(2,3)6-10/h4,7-8,10H,1,5-6H2,2-3H3/t7-,8-/m0/s1
InChIKeyWVLWQEDPQBZPSM-YUMQZZPRSA-N
MW140.23 g/mol
LogP1.83
Rot. Bonds3

About 2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol

2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol (PubChem CID 102275585) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol
PubChem CID102275585
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol
SMILESC=C[C@H]1C[C@@H]1C(C)(C)CO
InChIInChI=1S/C9H16O/c1-4-7-5-8(7)9(2,3)6-10/h4,7-8,10H,1,5-6H2,2-3H3/t7-,8-/m0/s1
InChIKeyWVLWQEDPQBZPSM-YUMQZZPRSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

1-tert-butyl-2,4-bis(ethenyl)cyclopentane
CID 58961448
2-ethenylcyclopropan-1-ol
CID 54500145
[(1S,2S)-2-ethenylcyclopropyl]methanol
CID 10011846
tert-butyl 2-ethenylcyclopropane-1-carboxylate
CID 14140138
tert-butyl (2R,5S)-1-benzyl-5-ethenyl-4-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 11415866
2-ethenyl-4-methylcyclopentan-1-ol
CID 142139319
cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane
CID 71389327
1,2,4-tris(ethenyl)-5-methylcyclohexane
CID 91133944
(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol
CID 130130703
tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate
CID 143394150
tert-butyl 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylate
CID 20780852
ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol
CID 142195088

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol (CID 102275585) is 2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol is C=C[C@H]1C[C@@H]1C(C)(C)CO.
What is the InChIKey of 2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol?
The InChIKey is WVLWQEDPQBZPSM-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16O/c1-4-7-5-8(7)9(2,3)6-10/h4,7-8,10H,1,5-6H2,2-3H3/t7-,8-/m0/s1.
What are the key properties of 2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol?
2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol is sourced from PubChem (CID 102275585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).