cyclooctylcyclooctane;prop-2-en-1-ol

C19H36O — CID 174488377

IUPACcyclooctylcyclooctane;prop-2-en-1-ol
SMILESC1CCCC(C2CCCCCCC2)CCC1.C=CCO
InChIInChI=1S/C16H30.C3H6O/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16;1-2-3-4/h15-16H,1-14H2;2,4H,1,3H2
InChIKeyXLXBLXLOJHPDEH-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.87
Rot. Bonds2

About cyclooctylcyclooctane;prop-2-en-1-ol

cyclooctylcyclooctane;prop-2-en-1-ol (PubChem CID 174488377) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is cyclooctylcyclooctane;prop-2-en-1-ol.

Molecular Properties

Compound Namecyclooctylcyclooctane;prop-2-en-1-ol
PubChem CID174488377
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Namecyclooctylcyclooctane;prop-2-en-1-ol
SMILESC1CCCC(C2CCCCCCC2)CCC1.C=CCO
InChIInChI=1S/C16H30.C3H6O/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16;1-2-3-4/h15-16H,1-14H2;2,4H,1,3H2
InChIKeyXLXBLXLOJHPDEH-UHFFFAOYSA-N
XLogP5.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene
CID 67065277
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
prop-2-en-1-ol;stannane
CID 173011847
tris(prop-2-en-1-ol);titanium
CID 177430302
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
azane;cyclohexylcyclohexane
CID 66583255
alumane;prop-2-en-1-ol
CID 173215342
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261

Frequently Asked Questions

What is the IUPAC name of cyclooctylcyclooctane;prop-2-en-1-ol?
The IUPAC name of cyclooctylcyclooctane;prop-2-en-1-ol (CID 174488377) is cyclooctylcyclooctane;prop-2-en-1-ol.
What is the SMILES notation for cyclooctylcyclooctane;prop-2-en-1-ol?
The canonical SMILES for cyclooctylcyclooctane;prop-2-en-1-ol is C1CCCC(C2CCCCCCC2)CCC1.C=CCO.
What is the InChIKey of cyclooctylcyclooctane;prop-2-en-1-ol?
The InChIKey is XLXBLXLOJHPDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30.C3H6O/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16;1-2-3-4/h15-16H,1-14H2;2,4H,1,3H2.
What are the key properties of cyclooctylcyclooctane;prop-2-en-1-ol?
cyclooctylcyclooctane;prop-2-en-1-ol has a molecular weight of 280.50 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctylcyclooctane;prop-2-en-1-ol is sourced from PubChem (CID 174488377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).