(3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene

C17H32O2 — CID 24744919

IUPAC(3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene
SMILESCC(C)CCOCC[C@@H]1CC=C[C@@H]1OCCC(C)C
InChIInChI=1S/C17H32O2/c1-14(2)8-11-18-12-10-16-6-5-7-17(16)19-13-9-15(3)4/h5,7,14-17H,6,8-13H2,1-4H3/t16-,17-/m0/s1
InChIKeyPPLNWBHDMUPHHF-IRXDYDNUSA-N
MW268.44 g/mol
LogP4.45
Rot. Bonds10

About (3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene

(3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene (PubChem CID 24744919) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene.

Molecular Properties

Compound Name(3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene
PubChem CID24744919
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene
SMILESCC(C)CCOCC[C@@H]1CC=C[C@@H]1OCCC(C)C
InChIInChI=1S/C17H32O2/c1-14(2)8-11-18-12-10-16-6-5-7-17(16)19-13-9-15(3)4/h5,7,14-17H,6,8-13H2,1-4H3/t16-,17-/m0/s1
InChIKeyPPLNWBHDMUPHHF-IRXDYDNUSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene
CID 24744770
2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol
CID 24744920
(3R,4S)-4-[2-(3-methylbutoxy)ethyl]-3-nonoxycyclopentene
CID 24744921
(3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene
CID 24745087
(3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene
CID 24745088
(3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene
CID 24745089
2-[(1E)-3-methyl-1-butenyl]tetrahydrofuran
CID 13076955
3,5-Dimethoxy-4-methylcyclopentene
CID 18341657
2,5-Bis(1-ethoxy-3-methoxypropan-2-yl)-2,5-dihydrofuran
CID 20097871
8-Methyl-6-(8-methylundec-4-en-6-yloxy)undec-4-ene
CID 57150633
(2R)-2-[(2R)-butan-2-yl]-2,5-dihydrofuran
CID 57792827
(2R)-2-[(2S)-butan-2-yl]-2,5-dihydrofuran
CID 58208616

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene?
The IUPAC name of (3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene (CID 24744919) is (3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene.
What is the SMILES notation for (3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene?
The canonical SMILES for (3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene is CC(C)CCOCC[C@@H]1CC=C[C@@H]1OCCC(C)C.
What is the InChIKey of (3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene?
The InChIKey is PPLNWBHDMUPHHF-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H32O2/c1-14(2)8-11-18-12-10-16-6-5-7-17(16)19-13-9-15(3)4/h5,7,14-17H,6,8-13H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of (3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene?
(3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene has a molecular weight of 268.44 g/mol, XLogP of 4.45, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene is sourced from PubChem (CID 24744919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).