(3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan

C15H24O — CID 134965926

IUPAC(3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan
SMILESC/C=C(/C)[C@H]1OC(C)[C@@]2(C)[C@@H](C)C=C[C@@]12C
InChIInChI=1S/C15H24O/c1-7-10(2)13-14(5)9-8-11(3)15(14,6)12(4)16-13/h7-9,11-13H,1-6H3/b10-7-/t11-,12?,13+,14-,15+/m0/s1
InChIKeyKMKQZLRSMSZQPZ-CJSDDUBUSA-N
MW220.36 g/mol
LogP3.96
Rot. Bonds1

About (3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan

(3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan (PubChem CID 134965926) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name(3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan
PubChem CID134965926
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan
SMILESC/C=C(/C)[C@H]1OC(C)[C@@]2(C)[C@@H](C)C=C[C@@]12C
InChIInChI=1S/C15H24O/c1-7-10(2)13-14(5)9-8-11(3)15(14,6)12(4)16-13/h7-9,11-13H,1-6H3/b10-7-/t11-,12?,13+,14-,15+/m0/s1
InChIKeyKMKQZLRSMSZQPZ-CJSDDUBUSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 (3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan with MolForge

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Related Compounds

2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
CID 586292
6-Oxabicyclo(3.2.1)oct-3-ene, 4,7,7-trimethyl-
CID 101153
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
2H-Pyran, 3,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990786
Bisabolene oxide
CID 56842615
Anethofuran
CID 126537
2H-Pyran, 5,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990785
(2S,4S,5R)-4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 162941234
6,8,9-Trimethyl-4-(1-propen-1-yl)-3-oxabicyclo[3.3.1]non-6-ene
CID 5757844
(3R,3aR,7aS)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran
CID 12125546
Clavufuranolide C
CID 171119629
(2S,6R,7S,8E)-(+)-2,7-Epoxy-4,8-megastigmadiene
CID 5369994

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan?
The IUPAC name of (3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan (CID 134965926) is (3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan.
What is the SMILES notation for (3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan?
The canonical SMILES for (3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan is C/C=C(/C)[C@H]1OC(C)[C@@]2(C)[C@@H](C)C=C[C@@]12C.
What is the InChIKey of (3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan?
The InChIKey is KMKQZLRSMSZQPZ-CJSDDUBUSA-N. The full InChI is InChI=1S/C15H24O/c1-7-10(2)13-14(5)9-8-11(3)15(14,6)12(4)16-13/h7-9,11-13H,1-6H3/b10-7-/t11-,12?,13+,14-,15+/m0/s1.
What are the key properties of (3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan?
(3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan has a molecular weight of 220.36 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 134965926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).