1-(furan-2-yl)-4-methylpent-3-en-1-ol

C10H14O2 — CID 15350980

IUPAC1-(furan-2-yl)-4-methylpent-3-en-1-ol
SMILESCC(C)=CCC(O)c1ccco1
InChIInChI=1S/C10H14O2/c1-8(2)5-6-9(11)10-4-3-7-12-10/h3-5,7,9,11H,6H2,1-2H3
InChIKeyXODBRZOKXKGRQK-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.67
Rot. Bonds3

About 1-(furan-2-yl)-4-methylpent-3-en-1-ol

1-(furan-2-yl)-4-methylpent-3-en-1-ol (PubChem CID 15350980) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-methylpent-3-en-1-ol.

Molecular Properties

Compound Name1-(furan-2-yl)-4-methylpent-3-en-1-ol
PubChem CID15350980
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(furan-2-yl)-4-methylpent-3-en-1-ol
SMILESCC(C)=CCC(O)c1ccco1
InChIInChI=1S/C10H14O2/c1-8(2)5-6-9(11)10-4-3-7-12-10/h3-5,7,9,11H,6H2,1-2H3
InChIKeyXODBRZOKXKGRQK-UHFFFAOYSA-N
XLogP2.67
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 106546957
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
1-(furan-2-yl)pentane-1,3,4-triol
CID 175602784
N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide
CID 130666162
(1R)-3-chloro-1-(furan-2-yl)propan-1-ol
CID 67216727
3-chloro-1-(furan-2-yl)propan-1-ol
CID 77242319
1-(furan-2-yl)decan-1-ol
CID 11085452
(Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol
CID 14764349

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-methylpent-3-en-1-ol?
The IUPAC name of 1-(furan-2-yl)-4-methylpent-3-en-1-ol (CID 15350980) is 1-(furan-2-yl)-4-methylpent-3-en-1-ol.
What is the SMILES notation for 1-(furan-2-yl)-4-methylpent-3-en-1-ol?
The canonical SMILES for 1-(furan-2-yl)-4-methylpent-3-en-1-ol is CC(C)=CCC(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-4-methylpent-3-en-1-ol?
The InChIKey is XODBRZOKXKGRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8(2)5-6-9(11)10-4-3-7-12-10/h3-5,7,9,11H,6H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-4-methylpent-3-en-1-ol?
1-(furan-2-yl)-4-methylpent-3-en-1-ol has a molecular weight of 166.22 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-methylpent-3-en-1-ol is sourced from PubChem (CID 15350980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).