(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol

C10H18O3 — CID 25147325

IUPAC(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol
SMILESC=C[C@@H](C)[C@@H](O)CC1(C)OCCO1
InChIInChI=1S/C10H18O3/c1-4-8(2)9(11)7-10(3)12-5-6-13-10/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9+/m1/s1
InChIKeyAZPXJWMIWVYGFF-BDAKNGLRSA-N
MW186.25 g/mol
LogP1.32
Rot. Bonds4

About (2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol

(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol (PubChem CID 25147325) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol
PubChem CID25147325
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol
SMILESC=C[C@@H](C)[C@@H](O)CC1(C)OCCO1
InChIInChI=1S/C10H18O3/c1-4-8(2)9(11)7-10(3)12-5-6-13-10/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9+/m1/s1
InChIKeyAZPXJWMIWVYGFF-BDAKNGLRSA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol?
The IUPAC name of (2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol (CID 25147325) is (2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol.
What is the SMILES notation for (2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol?
The canonical SMILES for (2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol is C=C[C@@H](C)[C@@H](O)CC1(C)OCCO1.
What is the InChIKey of (2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol?
The InChIKey is AZPXJWMIWVYGFF-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-8(2)9(11)7-10(3)12-5-6-13-10/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol?
(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol has a molecular weight of 186.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol is sourced from PubChem (CID 25147325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).