octan-1-ol;phosphane

C8H21OP — CID 158813059

IUPACoctan-1-ol;phosphane
SMILESCCCCCCCCO.P
InChIInChI=1S/C8H18O.H3P/c1-2-3-4-5-6-7-8-9;/h9H,2-8H2,1H3;1H3
InChIKeyAKKMVAMIXSEAQG-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.40
Rot. Bonds6

About octan-1-ol;phosphane

octan-1-ol;phosphane (PubChem CID 158813059) has the molecular formula C8H21OP and a molecular weight of 164.23 g/mol. Its IUPAC name is octan-1-ol;phosphane.

Molecular Properties

Compound Nameoctan-1-ol;phosphane
PubChem CID158813059
Molecular FormulaC8H21OP
Molecular Weight164.23 g/mol
Exact Mass164.13
IUPAC Nameoctan-1-ol;phosphane
SMILESCCCCCCCCO.P
InChIInChI=1S/C8H18O.H3P/c1-2-3-4-5-6-7-8-9;/h9H,2-8H2,1H3;1H3
InChIKeyAKKMVAMIXSEAQG-UHFFFAOYSA-N
XLogP2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.40
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

dodecan-1-ol;phosphane
CID 174820539
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

Frequently Asked Questions

What is the IUPAC name of octan-1-ol;phosphane?
The IUPAC name of octan-1-ol;phosphane (CID 158813059) is octan-1-ol;phosphane.
What is the SMILES notation for octan-1-ol;phosphane?
The canonical SMILES for octan-1-ol;phosphane is CCCCCCCCO.P.
What is the InChIKey of octan-1-ol;phosphane?
The InChIKey is AKKMVAMIXSEAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.H3P/c1-2-3-4-5-6-7-8-9;/h9H,2-8H2,1H3;1H3.
What are the key properties of octan-1-ol;phosphane?
octan-1-ol;phosphane has a molecular weight of 164.23 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octan-1-ol;phosphane is sourced from PubChem (CID 158813059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).