1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol

C14H22O4 — CID 134399179

IUPAC1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol
SMILESC=C(CCC)C(O)c1ccc(OCCCCO)o1
InChIInChI=1S/C14H22O4/c1-3-6-11(2)14(16)12-7-8-13(18-12)17-10-5-4-9-15/h7-8,14-16H,2-6,9-10H2,1H3
InChIKeySWVNKFGSHYBVBX-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.82
Rot. Bonds9

About 1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol

1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol (PubChem CID 134399179) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol.

Molecular Properties

Compound Name1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol
PubChem CID134399179
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol
SMILESC=C(CCC)C(O)c1ccc(OCCCCO)o1
InChIInChI=1S/C14H22O4/c1-3-6-11(2)14(16)12-7-8-13(18-12)17-10-5-4-9-15/h7-8,14-16H,2-6,9-10H2,1H3
InChIKeySWVNKFGSHYBVBX-UHFFFAOYSA-N
XLogP2.82
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
2,3-dihydroxypropyl 5-tetradecoxyfuran-2-carboxylate
CID 169131554
1-(5-decoxyfuran-2-yl)ethanone
CID 22152433
8-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyoctan-1-ol
CID 141224322
sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid
CID 173446967
sodium 5-tetradecoxyfuran-2-carboxylate
CID 70609100
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol
CID 177082644
4-(2-ethenylphenoxy)butan-1-ol
CID 101029392
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78930532

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol?
The IUPAC name of 1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol (CID 134399179) is 1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol.
What is the SMILES notation for 1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol?
The canonical SMILES for 1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol is C=C(CCC)C(O)c1ccc(OCCCCO)o1.
What is the InChIKey of 1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol?
The InChIKey is SWVNKFGSHYBVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-6-11(2)14(16)12-7-8-13(18-12)17-10-5-4-9-15/h7-8,14-16H,2-6,9-10H2,1H3.
What are the key properties of 1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol?
1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-hydroxybutoxy)furan-2-yl]-2-methylidenepentan-1-ol is sourced from PubChem (CID 134399179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).