(3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol

C12H16O3 — CID 11106585

IUPAC(3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol
SMILESC=C[C@H](O[C@@H](C)[C@H](O)C=C)c1ccco1
InChIInChI=1S/C12H16O3/c1-4-10(13)9(3)15-11(5-2)12-7-6-8-14-12/h4-11,13H,1-2H2,3H3/t9-,10+,11-/m0/s1
InChIKeyUNFYEVKVKVJKSJ-AXFHLTTASA-N
MW208.26 g/mol
LogP2.46
Rot. Bonds6

About (3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol

(3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol (PubChem CID 11106585) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol
PubChem CID11106585
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol
SMILESC=C[C@H](O[C@@H](C)[C@H](O)C=C)c1ccco1
InChIInChI=1S/C12H16O3/c1-4-10(13)9(3)15-11(5-2)12-7-6-8-14-12/h4-11,13H,1-2H2,3H3/t9-,10+,11-/m0/s1
InChIKeyUNFYEVKVKVJKSJ-AXFHLTTASA-N
XLogP2.46
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-phenylmethoxyprop-2-enyl)furan
CID 46944298
methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 28595486
N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107907535
dimethyl 2-[1-(furan-2-yl)prop-2-enyl]propanedioate
CID 13217837
1-(furan-2-yl)-2-methylbutane-1,3-diol
CID 72990739
(1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride
CID 171231702
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 43177064
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
2-(furan-2-yl)propanamide;hydrochloride
CID 69414482
(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol
CID 11957999
2-(1-diazopropan-2-yl)furan
CID 119087241

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol?
The IUPAC name of (3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol (CID 11106585) is (3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol.
What is the SMILES notation for (3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol?
The canonical SMILES for (3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol is C=C[C@H](O[C@@H](C)[C@H](O)C=C)c1ccco1.
What is the InChIKey of (3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol?
The InChIKey is UNFYEVKVKVJKSJ-AXFHLTTASA-N. The full InChI is InChI=1S/C12H16O3/c1-4-10(13)9(3)15-11(5-2)12-7-6-8-14-12/h4-11,13H,1-2H2,3H3/t9-,10+,11-/m0/s1.
What are the key properties of (3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol?
(3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol has a molecular weight of 208.26 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(1S)-1-(furan-2-yl)prop-2-enoxy]pent-1-en-3-ol is sourced from PubChem (CID 11106585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).