(3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one

C19H26O2 — CID 139265878

IUPAC(3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one
SMILESCCCC1(CCC)OC[C@H]2CC(=O)C(c3ccccc3)[C@H]21
InChIInChI=1S/C19H26O2/c1-3-10-19(11-4-2)18-15(13-21-19)12-16(20)17(18)14-8-6-5-7-9-14/h5-9,15,17-18H,3-4,10-13H2,1-2H3/t15-,17?,18+/m1/s1
InChIKeyBFALEOUDAQYDNS-IKJNGHJTSA-N
MW286.41 g/mol
LogP4.34
Rot. Bonds5

About (3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one

(3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one (PubChem CID 139265878) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is (3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one
PubChem CID139265878
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name(3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one
SMILESCCCC1(CCC)OC[C@H]2CC(=O)C(c3ccccc3)[C@H]21
InChIInChI=1S/C19H26O2/c1-3-10-19(11-4-2)18-15(13-21-19)12-16(20)17(18)14-8-6-5-7-9-14/h5-9,15,17-18H,3-4,10-13H2,1-2H3/t15-,17?,18+/m1/s1
InChIKeyBFALEOUDAQYDNS-IKJNGHJTSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one with MolForge

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Launch Full Analysis

Related Compounds

(3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan-2-one
CID 15449319
(3R,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan-2-one
CID 15449320
[(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite
CID 145298434
(1R,5R,8S,11S)-11-phenyl-5-propyl-6-oxatricyclo[6.3.0.01,5]undecan-10-one
CID 15258137
(3R,6aR)-3-butyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 49818695
(3S,6aR)-3-but-3-enyl-3-methyl-4-phenyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one
CID 101809595
(3aS,4R,6S,6aR)-6-ethenyl-3a,6a-dimethyl-4-[(E)-2-phenylethenyl]-5,6-dihydro-4H-cyclopenta[c]furan-1,3-dione
CID 134943339
4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 135036976
[(3aR,4S,5S,6aR)-4-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan-5-yl]-phenylmethanone
CID 135067664
(1R,2S,8R,11R,14R)-5-methyl-2-phenyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one
CID 135068001
[(1S,5R,7S,8R)-3-oxatricyclo[6.3.0.01,5]undecan-7-yl]-phenylmethanone
CID 135068145
[(3aR,4S,5S,6aR)-3a,4-dimethyl-4-phenyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl]-phenylmethanone
CID 135069459

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one?
The IUPAC name of (3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one (CID 139265878) is (3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one.
What is the SMILES notation for (3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one?
The canonical SMILES for (3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one is CCCC1(CCC)OC[C@H]2CC(=O)C(c3ccccc3)[C@H]21.
What is the InChIKey of (3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one?
The InChIKey is BFALEOUDAQYDNS-IKJNGHJTSA-N. The full InChI is InChI=1S/C19H26O2/c1-3-10-19(11-4-2)18-15(13-21-19)12-16(20)17(18)14-8-6-5-7-9-14/h5-9,15,17-18H,3-4,10-13H2,1-2H3/t15-,17?,18+/m1/s1.
What are the key properties of (3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one?
(3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one has a molecular weight of 286.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-4-phenyl-3,3-dipropyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one is sourced from PubChem (CID 139265878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).