[(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate

C17H24O5 — CID 23863813

IUPAC[(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate
SMILESC=C(CCCC)C(=O)CC[C@@H](OC(C)=O)c1ccc(CO)o1
InChIInChI=1S/C17H24O5/c1-4-5-6-12(2)15(20)8-10-16(21-13(3)19)17-9-7-14(11-18)22-17/h7,9,16,18H,2,4-6,8,10-11H2,1,3H3/t16-/m1/s1
InChIKeyYCVWDLTYZFPNMN-MRXNPFEDSA-N
MW308.37 g/mol
LogP3.47
Rot. Bonds10

About [(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate

[(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate (PubChem CID 23863813) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is [(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate
PubChem CID23863813
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name[(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate
SMILESC=C(CCCC)C(=O)CC[C@@H](OC(C)=O)c1ccc(CO)o1
InChIInChI=1S/C17H24O5/c1-4-5-6-12(2)15(20)8-10-16(21-13(3)19)17-9-7-14(11-18)22-17/h7,9,16,18H,2,4-6,8,10-11H2,1,3H3/t16-/m1/s1
InChIKeyYCVWDLTYZFPNMN-MRXNPFEDSA-N
XLogP3.47
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-[3-(2-hydroxyethoxy)phenyl]-5-methylidene-4-oxononyl] acetate
CID 23975112
[(Z,1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-quinolin-3-ylnon-3-enyl] pyridine-4-carboxylate
CID 23806837
9-methyl-6-methylidenedecan-5-one
CID 139998322
[5-(hydroxymethyl)furan-2-yl]methanol;bis(octanoic acid)
CID 118471769
[(1S)-1-phenylpentyl] acetate
CID 12651064
1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one
CID 55292431
ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate
CID 171243533
1-(5-formylfuran-2-yl)propyl acetate
CID 154665569
[(1S)-1-[3-(2-hydroxyethoxy)phenyl]-5-(methoxymethyl)-4-oxohex-5-enyl] acetate
CID 23748763
11-methylidenetricosan-12-one
CID 146586592
[(1S)-1-[3-(hydroxymethyl)phenyl]octyl] acetate
CID 57413207
2-methyl-5-methylidenenonan-4-one
CID 71483400

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate?
The IUPAC name of [(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate (CID 23863813) is [(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate.
What is the SMILES notation for [(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate?
The canonical SMILES for [(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate is C=C(CCCC)C(=O)CC[C@@H](OC(C)=O)c1ccc(CO)o1.
What is the InChIKey of [(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate?
The InChIKey is YCVWDLTYZFPNMN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24O5/c1-4-5-6-12(2)15(20)8-10-16(21-13(3)19)17-9-7-14(11-18)22-17/h7,9,16,18H,2,4-6,8,10-11H2,1,3H3/t16-/m1/s1.
What are the key properties of [(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate?
[(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate has a molecular weight of 308.37 g/mol, XLogP of 3.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[5-(hydroxymethyl)furan-2-yl]-5-methylidene-4-oxononyl] acetate is sourced from PubChem (CID 23863813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).