(2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol

C11H20O3 — CID 58795447

IUPAC(2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol
SMILESC=CC[C@H](CO)[C@@H]1OC(C)OC[C@@H]1C
InChIInChI=1S/C11H20O3/c1-4-5-10(6-12)11-8(2)7-13-9(3)14-11/h4,8-12H,1,5-7H2,2-3H3/t8-,9?,10+,11+/m0/s1
InChIKeyBLSRNSNYFUFXEK-PIOBBSKYSA-N
MW200.28 g/mol
LogP1.57
Rot. Bonds4

About (2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol

(2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol (PubChem CID 58795447) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol
PubChem CID58795447
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol
SMILESC=CC[C@H](CO)[C@@H]1OC(C)OC[C@@H]1C
InChIInChI=1S/C11H20O3/c1-4-5-10(6-12)11-8(2)7-13-9(3)14-11/h4,8-12H,1,5-7H2,2-3H3/t8-,9?,10+,11+/m0/s1
InChIKeyBLSRNSNYFUFXEK-PIOBBSKYSA-N
XLogP1.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.57
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 (2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol?
The IUPAC name of (2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol (CID 58795447) is (2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol.
What is the SMILES notation for (2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol?
The canonical SMILES for (2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol is C=CC[C@H](CO)[C@@H]1OC(C)OC[C@@H]1C.
What is the InChIKey of (2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol?
The InChIKey is BLSRNSNYFUFXEK-PIOBBSKYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-5-10(6-12)11-8(2)7-13-9(3)14-11/h4,8-12H,1,5-7H2,2-3H3/t8-,9?,10+,11+/m0/s1.
What are the key properties of (2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol?
(2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5S)-2,5-dimethyl-1,3-dioxan-4-yl]pent-4-en-1-ol is sourced from PubChem (CID 58795447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).