(3S)-2,3-dimethylpent-4-en-2-ol

C7H14O — CID 5324807

IUPAC(3S)-2,3-dimethylpent-4-en-2-ol
SMILESC=C[C@H](C)C(C)(C)O
InChIInChI=1S/C7H14O/c1-5-6(2)7(3,4)8/h5-6,8H,1H2,2-4H3/t6-/m0/s1
InChIKeyUXQHFIZCRSFVOJ-LURJTMIESA-N
MW114.19 g/mol
LogP1.58
Rot. Bonds2

About (3S)-2,3-dimethylpent-4-en-2-ol

(3S)-2,3-dimethylpent-4-en-2-ol (PubChem CID 5324807) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (3S)-2,3-dimethylpent-4-en-2-ol.

Molecular Properties

Compound Name(3S)-2,3-dimethylpent-4-en-2-ol
PubChem CID5324807
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(3S)-2,3-dimethylpent-4-en-2-ol
SMILESC=C[C@H](C)C(C)(C)O
InChIInChI=1S/C7H14O/c1-5-6(2)7(3,4)8/h5-6,8H,1H2,2-4H3/t6-/m0/s1
InChIKeyUXQHFIZCRSFVOJ-LURJTMIESA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.58
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 (3S)-2,3-dimethylpent-4-en-2-ol?
The IUPAC name of (3S)-2,3-dimethylpent-4-en-2-ol (CID 5324807) is (3S)-2,3-dimethylpent-4-en-2-ol.
What is the SMILES notation for (3S)-2,3-dimethylpent-4-en-2-ol?
The canonical SMILES for (3S)-2,3-dimethylpent-4-en-2-ol is C=C[C@H](C)C(C)(C)O.
What is the InChIKey of (3S)-2,3-dimethylpent-4-en-2-ol?
The InChIKey is UXQHFIZCRSFVOJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O/c1-5-6(2)7(3,4)8/h5-6,8H,1H2,2-4H3/t6-/m0/s1.
What are the key properties of (3S)-2,3-dimethylpent-4-en-2-ol?
(3S)-2,3-dimethylpent-4-en-2-ol has a molecular weight of 114.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-dimethylpent-4-en-2-ol is sourced from PubChem (CID 5324807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).