nonadecakis(heptane);nonan-1-ol

C142H324O — CID 173279398

IUPACnonadecakis(heptane);nonan-1-ol
SMILESCCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCCCCO
InChIInChI=1S/C9H20O.19C7H16/c1-2-3-4-5-6-7-8-9-10;19*1-3-5-7-6-4-2/h10H,2-9H2,1H3;19*3-7H2,1-2H3
InChIKeyORKZZPOCVBSPLD-UHFFFAOYSA-N
MW2048.15 g/mol
LogP59.29
Rot. Bonds83

About nonadecakis(heptane);nonan-1-ol

nonadecakis(heptane);nonan-1-ol (PubChem CID 173279398) has the molecular formula C142H324O and a molecular weight of 2048.15 g/mol. Its IUPAC name is nonadecakis(heptane);nonan-1-ol.

Molecular Properties

Compound Namenonadecakis(heptane);nonan-1-ol
PubChem CID173279398
Molecular FormulaC142H324O
Molecular Weight2048.15 g/mol
Exact Mass2046.53
IUPAC Namenonadecakis(heptane);nonan-1-ol
SMILESCCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCCCCO
InChIInChI=1S/C9H20O.19C7H16/c1-2-3-4-5-6-7-8-9-10;19*1-3-5-7-6-4-2/h10H,2-9H2,1H3;19*3-7H2,1-2H3
InChIKeyORKZZPOCVBSPLD-UHFFFAOYSA-N
XLogP59.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds83
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002048.15
LogP ≤ 559.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
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
hexadecane;hexadecan-1-ol
CID 22418546

Frequently Asked Questions

What is the IUPAC name of nonadecakis(heptane);nonan-1-ol?
The IUPAC name of nonadecakis(heptane);nonan-1-ol (CID 173279398) is nonadecakis(heptane);nonan-1-ol.
What is the SMILES notation for nonadecakis(heptane);nonan-1-ol?
The canonical SMILES for nonadecakis(heptane);nonan-1-ol is CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCCCCO.
What is the InChIKey of nonadecakis(heptane);nonan-1-ol?
The InChIKey is ORKZZPOCVBSPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.19C7H16/c1-2-3-4-5-6-7-8-9-10;19*1-3-5-7-6-4-2/h10H,2-9H2,1H3;19*3-7H2,1-2H3.
What are the key properties of nonadecakis(heptane);nonan-1-ol?
nonadecakis(heptane);nonan-1-ol has a molecular weight of 2048.15 g/mol, XLogP of 59.29, 83 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecakis(heptane);nonan-1-ol is sourced from PubChem (CID 173279398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).