naphthalene;octan-1-ol

C18H26O — CID 90016891

IUPACnaphthalene;octan-1-ol
SMILESCCCCCCCCO.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H18O/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-3-4-5-6-7-8-9/h1-8H;9H,2-8H2,1H3
InChIKeyKFOYHHXWNRCGNU-UHFFFAOYSA-N
MW258.41 g/mol
LogP5.18
Rot. Bonds6

About naphthalene;octan-1-ol

naphthalene;octan-1-ol (PubChem CID 90016891) has the molecular formula C18H26O and a molecular weight of 258.41 g/mol. Its IUPAC name is naphthalene;octan-1-ol.

Molecular Properties

Compound Namenaphthalene;octan-1-ol
PubChem CID90016891
Molecular FormulaC18H26O
Molecular Weight258.41 g/mol
Exact Mass258.20
IUPAC Namenaphthalene;octan-1-ol
SMILESCCCCCCCCO.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H18O/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-3-4-5-6-7-8-9/h1-8H;9H,2-8H2,1H3
InChIKeyKFOYHHXWNRCGNU-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.41
LogP ≤ 55.18
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

anthracene;hexan-1-ol
CID 174457209
octan-1-ol;1,2-xylene
CID 68579692
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptatriacontan-1-ol
CID 537071
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
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242

Frequently Asked Questions

What is the IUPAC name of naphthalene;octan-1-ol?
The IUPAC name of naphthalene;octan-1-ol (CID 90016891) is naphthalene;octan-1-ol.
What is the SMILES notation for naphthalene;octan-1-ol?
The canonical SMILES for naphthalene;octan-1-ol is CCCCCCCCO.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;octan-1-ol?
The InChIKey is KFOYHHXWNRCGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C8H18O/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-3-4-5-6-7-8-9/h1-8H;9H,2-8H2,1H3.
What are the key properties of naphthalene;octan-1-ol?
naphthalene;octan-1-ol has a molecular weight of 258.41 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;octan-1-ol is sourced from PubChem (CID 90016891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).