(3R)-5-(oxan-2-yloxy)pent-1-en-3-ol

C10H18O3 — CID 42599689

IUPAC(3R)-5-(oxan-2-yloxy)pent-1-en-3-ol
SMILESC=C[C@H](O)CCOC1CCCCO1
InChIInChI=1S/C10H18O3/c1-2-9(11)6-8-13-10-5-3-4-7-12-10/h2,9-11H,1,3-8H2/t9-,10?/m0/s1
InChIKeyNCZLGMWKXIHNMD-RGURZIINSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds5

About (3R)-5-(oxan-2-yloxy)pent-1-en-3-ol

(3R)-5-(oxan-2-yloxy)pent-1-en-3-ol (PubChem CID 42599689) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R)-5-(oxan-2-yloxy)pent-1-en-3-ol.

Molecular Properties

Compound Name(3R)-5-(oxan-2-yloxy)pent-1-en-3-ol
PubChem CID42599689
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3R)-5-(oxan-2-yloxy)pent-1-en-3-ol
SMILESC=C[C@H](O)CCOC1CCCCO1
InChIInChI=1S/C10H18O3/c1-2-9(11)6-8-13-10-5-3-4-7-12-10/h2,9-11H,1,3-8H2/t9-,10?/m0/s1
InChIKeyNCZLGMWKXIHNMD-RGURZIINSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.47
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 (3R)-5-(oxan-2-yloxy)pent-1-en-3-ol?
The IUPAC name of (3R)-5-(oxan-2-yloxy)pent-1-en-3-ol (CID 42599689) is (3R)-5-(oxan-2-yloxy)pent-1-en-3-ol.
What is the SMILES notation for (3R)-5-(oxan-2-yloxy)pent-1-en-3-ol?
The canonical SMILES for (3R)-5-(oxan-2-yloxy)pent-1-en-3-ol is C=C[C@H](O)CCOC1CCCCO1.
What is the InChIKey of (3R)-5-(oxan-2-yloxy)pent-1-en-3-ol?
The InChIKey is NCZLGMWKXIHNMD-RGURZIINSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-9(11)6-8-13-10-5-3-4-7-12-10/h2,9-11H,1,3-8H2/t9-,10?/m0/s1.
What are the key properties of (3R)-5-(oxan-2-yloxy)pent-1-en-3-ol?
(3R)-5-(oxan-2-yloxy)pent-1-en-3-ol has a molecular weight of 186.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(oxan-2-yloxy)pent-1-en-3-ol is sourced from PubChem (CID 42599689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).