(3-heptylfuran-2-yl)phosphane

C11H19OP — CID 21095511

IUPAC(3-heptylfuran-2-yl)phosphane
SMILESCCCCCCCc1ccoc1P
InChIInChI=1S/C11H19OP/c1-2-3-4-5-6-7-10-8-9-12-11(10)13/h8-9H,2-7,13H2,1H3
InChIKeyQXGAIHRRZCCLRU-UHFFFAOYSA-N
MW198.25 g/mol
LogP3.29
Rot. Bonds6

About (3-heptylfuran-2-yl)phosphane

(3-heptylfuran-2-yl)phosphane (PubChem CID 21095511) has the molecular formula C11H19OP and a molecular weight of 198.25 g/mol. Its IUPAC name is (3-heptylfuran-2-yl)phosphane.

Molecular Properties

Compound Name(3-heptylfuran-2-yl)phosphane
PubChem CID21095511
Molecular FormulaC11H19OP
Molecular Weight198.25 g/mol
Exact Mass198.12
IUPAC Name(3-heptylfuran-2-yl)phosphane
SMILESCCCCCCCc1ccoc1P
InChIInChI=1S/C11H19OP/c1-2-3-4-5-6-7-10-8-9-12-11(10)13/h8-9H,2-7,13H2,1H3
InChIKeyQXGAIHRRZCCLRU-UHFFFAOYSA-N
XLogP3.29
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-pentylfuran-2-yl)phosphane
CID 21095698
3-heptylfuran-2-amine
CID 90951825
2-methyl-3-pentylfuran
CID 12555082
3-dodecylfuran-2-carbaldehyde
CID 54442257
(3-heptylfuran-2-yl)methanol
CID 14791772
4-hexyl-1-benzofuran
CID 90920870
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
ethyl 2-(3-hexylfuran-2-yl)acetate
CID 11149114

Frequently Asked Questions

What is the IUPAC name of (3-heptylfuran-2-yl)phosphane?
The IUPAC name of (3-heptylfuran-2-yl)phosphane (CID 21095511) is (3-heptylfuran-2-yl)phosphane.
What is the SMILES notation for (3-heptylfuran-2-yl)phosphane?
The canonical SMILES for (3-heptylfuran-2-yl)phosphane is CCCCCCCc1ccoc1P.
What is the InChIKey of (3-heptylfuran-2-yl)phosphane?
The InChIKey is QXGAIHRRZCCLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19OP/c1-2-3-4-5-6-7-10-8-9-12-11(10)13/h8-9H,2-7,13H2,1H3.
What are the key properties of (3-heptylfuran-2-yl)phosphane?
(3-heptylfuran-2-yl)phosphane has a molecular weight of 198.25 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-heptylfuran-2-yl)phosphane is sourced from PubChem (CID 21095511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).