(6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

C15H24O — CID 129267489

IUPAC(6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC=CCCC1COC2C1CC[C@@H]2CCC=C
InChIInChI=1S/C15H24O/c1-3-5-7-12-9-10-14-13(8-6-4-2)11-16-15(12)14/h3-4,12-15H,1-2,5-11H2/t12-,13?,14?,15?/m0/s1
InChIKeyBKTMSILPBBNJFD-NAOUJUTFSA-N
MW220.36 g/mol
LogP3.96
Rot. Bonds6

About (6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

(6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 129267489) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID129267489
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC=CCCC1COC2C1CC[C@@H]2CCC=C
InChIInChI=1S/C15H24O/c1-3-5-7-12-9-10-14-13(8-6-4-2)11-16-15(12)14/h3-4,12-15H,1-2,5-11H2/t12-,13?,14?,15?/m0/s1
InChIKeyBKTMSILPBBNJFD-NAOUJUTFSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan with MolForge

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Related Compounds

3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 166846155
3-Oxatricyclo[5.2.1.02,6]dec-8-ene
CID 23555988
2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
CID 25257554
6a-methyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
CID 57644355
(3aS,4R,5S,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 58644918
4,6-bis(ethenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 68010750
2-[2,4-Bis(ethenyl)cyclopentyl]-2-methyloxolane
CID 68010752
7,9-Bis(ethenyl)-2-oxaspiro[4.4]nonane
CID 68010753
4,6-bis(ethenyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 68010758
4,5-Dimethyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 89351340
3-Methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 123495507
6-Ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane]
CID 123627142

Frequently Asked Questions

What is the IUPAC name of (6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of (6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 129267489) is (6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is C=CCCC1COC2C1CC[C@@H]2CCC=C.
What is the InChIKey of (6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is BKTMSILPBBNJFD-NAOUJUTFSA-N. The full InChI is InChI=1S/C15H24O/c1-3-5-7-12-9-10-14-13(8-6-4-2)11-16-15(12)14/h3-4,12-15H,1-2,5-11H2/t12-,13?,14?,15?/m0/s1.
What are the key properties of (6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
(6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 220.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 129267489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).