2-hexyl-5-propan-2-ylfuran

C13H22O — CID 11615340

IUPAC2-hexyl-5-propan-2-ylfuran
SMILESCCCCCCc1ccc(C(C)C)o1
InChIInChI=1S/C13H22O/c1-4-5-6-7-8-12-9-10-13(14-12)11(2)3/h9-11H,4-8H2,1-3H3
InChIKeySFSQVOBFQJCMBI-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.53
Rot. Bonds6

About 2-hexyl-5-propan-2-ylfuran

2-hexyl-5-propan-2-ylfuran (PubChem CID 11615340) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-hexyl-5-propan-2-ylfuran.

Molecular Properties

Compound Name2-hexyl-5-propan-2-ylfuran
PubChem CID11615340
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-hexyl-5-propan-2-ylfuran
SMILESCCCCCCc1ccc(C(C)C)o1
InChIInChI=1S/C13H22O/c1-4-5-6-7-8-12-9-10-13(14-12)11(2)3/h9-11H,4-8H2,1-3H3
InChIKeySFSQVOBFQJCMBI-UHFFFAOYSA-N
XLogP4.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(5-octadecylfuran-2-yl)iodanium
CID 139729189
2-(5-hexylfuran-2-yl)acetic acid
CID 10954815
acetic acid;8-(5-hexylfuran-2-yl)octan-1-ol
CID 71319263
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-hexylfuran-2-carboxylic acid
CID 86015959
(1R)-1-(5-propylfuran-2-yl)ethanamine
CID 55276381
(5-tetradecylfuran-2-yl)methanesulfonic acid
CID 155313093
5-heptylfuran-2-sulfonic acid
CID 129105151
6-undecylpyran-2-one
CID 14827366
1-(5-ethylfuran-2-yl)undecan-1-ol
CID 65150077
2-bromo-5-butylfuran
CID 59059059
3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran
CID 176857445

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-propan-2-ylfuran?
The IUPAC name of 2-hexyl-5-propan-2-ylfuran (CID 11615340) is 2-hexyl-5-propan-2-ylfuran.
What is the SMILES notation for 2-hexyl-5-propan-2-ylfuran?
The canonical SMILES for 2-hexyl-5-propan-2-ylfuran is CCCCCCc1ccc(C(C)C)o1.
What is the InChIKey of 2-hexyl-5-propan-2-ylfuran?
The InChIKey is SFSQVOBFQJCMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-4-5-6-7-8-12-9-10-13(14-12)11(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-hexyl-5-propan-2-ylfuran?
2-hexyl-5-propan-2-ylfuran has a molecular weight of 194.32 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-propan-2-ylfuran is sourced from PubChem (CID 11615340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).