(2S)-2-cyclopropylbut-3-yn-2-ol

C7H10O — CID 1382034

IUPAC(2S)-2-cyclopropylbut-3-yn-2-ol
SMILESC#C[C@@](C)(O)C1CC1
InChIInChI=1S/C7H10O/c1-3-7(2,8)6-4-5-6/h1,6,8H,4-5H2,2H3/t7-/m1/s1
InChIKeyTXBLNDNWPNEHKV-SSDOTTSWSA-N
MW110.16 g/mol
LogP0.78
Rot. Bonds1

About (2S)-2-cyclopropylbut-3-yn-2-ol

(2S)-2-cyclopropylbut-3-yn-2-ol (PubChem CID 1382034) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (2S)-2-cyclopropylbut-3-yn-2-ol.

Molecular Properties

Compound Name(2S)-2-cyclopropylbut-3-yn-2-ol
PubChem CID1382034
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(2S)-2-cyclopropylbut-3-yn-2-ol
SMILESC#C[C@@](C)(O)C1CC1
InChIInChI=1S/C7H10O/c1-3-7(2,8)6-4-5-6/h1,6,8H,4-5H2,2H3/t7-/m1/s1
InChIKeyTXBLNDNWPNEHKV-SSDOTTSWSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropylbut-3-yn-2-ol?
The IUPAC name of (2S)-2-cyclopropylbut-3-yn-2-ol (CID 1382034) is (2S)-2-cyclopropylbut-3-yn-2-ol.
What is the SMILES notation for (2S)-2-cyclopropylbut-3-yn-2-ol?
The canonical SMILES for (2S)-2-cyclopropylbut-3-yn-2-ol is C#C[C@@](C)(O)C1CC1.
What is the InChIKey of (2S)-2-cyclopropylbut-3-yn-2-ol?
The InChIKey is TXBLNDNWPNEHKV-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10O/c1-3-7(2,8)6-4-5-6/h1,6,8H,4-5H2,2H3/t7-/m1/s1.
What are the key properties of (2S)-2-cyclopropylbut-3-yn-2-ol?
(2S)-2-cyclopropylbut-3-yn-2-ol has a molecular weight of 110.16 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropylbut-3-yn-2-ol is sourced from PubChem (CID 1382034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).