2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran

C16H26O2 — CID 174171775

IUPAC2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran
SMILESCC1C=CC(C(C)CCC(C)C2=COC[C@@H]2C)O1
InChIInChI=1S/C16H26O2/c1-11(15-10-17-9-13(15)3)5-6-12(2)16-8-7-14(4)18-16/h7-8,10-14,16H,5-6,9H2,1-4H3/t11?,12?,13-,14?,16?/m0/s1
InChIKeyFYLQCZMDOUKPJV-JMGALGLOSA-N
MW250.38 g/mol
LogP3.93
Rot. Bonds5

About 2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran

2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran (PubChem CID 174171775) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran.

Molecular Properties

Compound Name2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran
PubChem CID174171775
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran
SMILESCC1C=CC(C(C)CCC(C)C2=COC[C@@H]2C)O1
InChIInChI=1S/C16H26O2/c1-11(15-10-17-9-13(15)3)5-6-12(2)16-8-7-14(4)18-16/h7-8,10-14,16H,5-6,9H2,1-4H3/t11?,12?,13-,14?,16?/m0/s1
InChIKeyFYLQCZMDOUKPJV-JMGALGLOSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran?
The IUPAC name of 2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran (CID 174171775) is 2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran.
What is the SMILES notation for 2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran?
The canonical SMILES for 2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran is CC1C=CC(C(C)CCC(C)C2=COC[C@@H]2C)O1.
What is the InChIKey of 2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran?
The InChIKey is FYLQCZMDOUKPJV-JMGALGLOSA-N. The full InChI is InChI=1S/C16H26O2/c1-11(15-10-17-9-13(15)3)5-6-12(2)16-8-7-14(4)18-16/h7-8,10-14,16H,5-6,9H2,1-4H3/t11?,12?,13-,14?,16?/m0/s1.
What are the key properties of 2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran?
2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran has a molecular weight of 250.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran is sourced from PubChem (CID 174171775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).