heptan-1-ol;heptylphosphane

C14H33OP — CID 88830692

IUPACheptan-1-ol;heptylphosphane
SMILESCCCCCCCO.CCCCCCCP
InChIInChI=1S/C7H16O.C7H17P/c2*1-2-3-4-5-6-7-8/h8H,2-7H2,1H3;2-8H2,1H3
InChIKeyATJBLLTYLGNAFQ-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.78
Rot. Bonds10

About heptan-1-ol;heptylphosphane

heptan-1-ol;heptylphosphane (PubChem CID 88830692) has the molecular formula C14H33OP and a molecular weight of 248.39 g/mol. Its IUPAC name is heptan-1-ol;heptylphosphane.

Molecular Properties

Compound Nameheptan-1-ol;heptylphosphane
PubChem CID88830692
Molecular FormulaC14H33OP
Molecular Weight248.39 g/mol
Exact Mass248.23
IUPAC Nameheptan-1-ol;heptylphosphane
SMILESCCCCCCCO.CCCCCCCP
InChIInChI=1S/C7H16O.C7H17P/c2*1-2-3-4-5-6-7-8/h8H,2-7H2,1H3;2-8H2,1H3
InChIKeyATJBLLTYLGNAFQ-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
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

decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
octan-1-ol;pentane-1,5-diol
CID 174867151

Frequently Asked Questions

What is the IUPAC name of heptan-1-ol;heptylphosphane?
The IUPAC name of heptan-1-ol;heptylphosphane (CID 88830692) is heptan-1-ol;heptylphosphane.
What is the SMILES notation for heptan-1-ol;heptylphosphane?
The canonical SMILES for heptan-1-ol;heptylphosphane is CCCCCCCO.CCCCCCCP.
What is the InChIKey of heptan-1-ol;heptylphosphane?
The InChIKey is ATJBLLTYLGNAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C7H17P/c2*1-2-3-4-5-6-7-8/h8H,2-7H2,1H3;2-8H2,1H3.
What are the key properties of heptan-1-ol;heptylphosphane?
heptan-1-ol;heptylphosphane has a molecular weight of 248.39 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-1-ol;heptylphosphane is sourced from PubChem (CID 88830692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).