5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran

C18H34O — CID 85078801

IUPAC5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran
SMILESCCCCCCCC1C=C(C)C(CCCCCC)O1
InChIInChI=1S/C18H34O/c1-4-6-8-10-11-13-17-15-16(3)18(19-17)14-12-9-7-5-2/h15,17-18H,4-14H2,1-3H3
InChIKeyQGHAAUMCJCLSKJ-UHFFFAOYSA-N
MW266.47 g/mol
LogP6.03
Rot. Bonds11

About 5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran

5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran (PubChem CID 85078801) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran.

Molecular Properties

Compound Name5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran
PubChem CID85078801
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran
SMILESCCCCCCCC1C=C(C)C(CCCCCC)O1
InChIInChI=1S/C18H34O/c1-4-6-8-10-11-13-17-15-16(3)18(19-17)14-12-9-7-5-2/h15,17-18H,4-14H2,1-3H3
InChIKeyQGHAAUMCJCLSKJ-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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CID 23425614
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
trans-11S,12S-Epoxy-6Z,9Z-heneicosadiene
CID 10494907
(3R,4S)-4-[2-(3-methylbutoxy)ethyl]-3-nonoxycyclopentene
CID 24744921
(2R)-3-methyl-2-(3-methylbut-3-enyl)-2,5-dihydrofuran
CID 163015296
2-Butyl-4-methyl-3,6-dihydro-2h-pyran
CID 12503535
3-Pentyl-2,5-dihydrofuran
CID 15647309
(2R)-2-(cyclohexen-1-yl)-2,5-dihydrofuran
CID 10012080
2-butyl-5,5-dimethyl-3-prop-2-enyl-2H-furan
CID 10888822
2-Hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran
CID 10943714
2-Hexyl-3-prop-2-enyl-2,5-dihydrofuran
CID 11030687

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran?
The IUPAC name of 5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran (CID 85078801) is 5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran.
What is the SMILES notation for 5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran?
The canonical SMILES for 5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran is CCCCCCCC1C=C(C)C(CCCCCC)O1.
What is the InChIKey of 5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran?
The InChIKey is QGHAAUMCJCLSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-4-6-8-10-11-13-17-15-16(3)18(19-17)14-12-9-7-5-2/h15,17-18H,4-14H2,1-3H3.
What are the key properties of 5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran?
5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran has a molecular weight of 266.47 g/mol, XLogP of 6.03, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2-hexyl-3-methyl-2,5-dihydrofuran is sourced from PubChem (CID 85078801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).