[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone

C19H27O4P — CID 71051509

IUPAC[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone
SMILESCCCCCCOc1ccc(C(=O)P[C@@H]2CO[C@@H]3CCO[C@@H]32)cc1
InChIInChI=1S/C19H27O4P/c1-2-3-4-5-11-21-15-8-6-14(7-9-15)19(20)24-17-13-23-16-10-12-22-18(16)17/h6-9,16-18,24H,2-5,10-13H2,1H3/t16-,17-,18+/m1/s1
InChIKeyQWZJWYKBBAPVKD-KURKYZTESA-N
MW350.40 g/mol
LogP4.02
Rot. Bonds9

About [(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone

[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone (PubChem CID 71051509) has the molecular formula C19H27O4P and a molecular weight of 350.40 g/mol. Its IUPAC name is [(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone.

Molecular Properties

Compound Name[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone
PubChem CID71051509
Molecular FormulaC19H27O4P
Molecular Weight350.40 g/mol
Exact Mass350.16
IUPAC Name[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone
SMILESCCCCCCOc1ccc(C(=O)P[C@@H]2CO[C@@H]3CCO[C@@H]32)cc1
InChIInChI=1S/C19H27O4P/c1-2-3-4-5-11-21-15-8-6-14(7-9-15)19(20)24-17-13-23-16-10-12-22-18(16)17/h6-9,16-18,24H,2-5,10-13H2,1H3/t16-,17-,18+/m1/s1
InChIKeyQWZJWYKBBAPVKD-KURKYZTESA-N
XLogP4.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-hexoxybenzeneamine oxide
CID 163527147
[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (E)-3-(4-butoxyphenyl)prop-2-enoate
CID 166881113
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 4-butylbenzoate
CID 90731148
2-[(3S,3aR,6R,6aR)-6-[2-[4-[(4-hexoxyphenyl)diazenyl]phenyl]-2-oxoethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-[4-[(4-hexoxyphenyl)diazenyl]phenyl]ethanone
CID 101390679
[4-(4-decoxybenzoyl)phenyl] [(2R)-oxolan-2-yl] carbonate
CID 67902829
4-hexadecoxybenzenecarbothioic S-acid
CID 54096930
ethane;4-octoxybenzoic acid
CID 144740890
4-octoxybenzenecarbothioic S-acid
CID 54199647
4-hexoxybenzenecarbothioic S-acid
CID 54321336
(4-hexoxybenzoyl) 4-hexoxybenzoate
CID 71407529
1-octoxy-4-[1,2,2-tris(4-octoxyphenyl)ethenyl]benzene
CID 177402609
[4-(4-octoxybenzoyl)oxyphenyl] 4-pentoxybenzoate
CID 100939275

Frequently Asked Questions

What is the IUPAC name of [(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone?
The IUPAC name of [(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone (CID 71051509) is [(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone.
What is the SMILES notation for [(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone?
The canonical SMILES for [(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone is CCCCCCOc1ccc(C(=O)P[C@@H]2CO[C@@H]3CCO[C@@H]32)cc1.
What is the InChIKey of [(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone?
The InChIKey is QWZJWYKBBAPVKD-KURKYZTESA-N. The full InChI is InChI=1S/C19H27O4P/c1-2-3-4-5-11-21-15-8-6-14(7-9-15)19(20)24-17-13-23-16-10-12-22-18(16)17/h6-9,16-18,24H,2-5,10-13H2,1H3/t16-,17-,18+/m1/s1.
What are the key properties of [(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone?
[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone has a molecular weight of 350.40 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]phosphanyl-(4-hexoxyphenyl)methanone is sourced from PubChem (CID 71051509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).