2-cyclononylcyclononane-1,1-diol

C18H34O2 — CID 23113232

IUPAC2-cyclononylcyclononane-1,1-diol
SMILESOC1(O)CCCCCCCC1C1CCCCCCCC1
InChIInChI=1S/C18H34O2/c19-18(20)15-11-7-3-6-10-14-17(18)16-12-8-4-1-2-5-9-13-16/h16-17,19-20H,1-15H2
InChIKeyYKDVQEGCYMTXLJ-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.78
Rot. Bonds1

About 2-cyclononylcyclononane-1,1-diol

2-cyclononylcyclononane-1,1-diol (PubChem CID 23113232) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-cyclononylcyclononane-1,1-diol.

Molecular Properties

Compound Name2-cyclononylcyclononane-1,1-diol
PubChem CID23113232
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2-cyclononylcyclononane-1,1-diol
SMILESOC1(O)CCCCCCCC1C1CCCCCCCC1
InChIInChI=1S/C18H34O2/c19-18(20)15-11-7-3-6-10-14-17(18)16-12-8-4-1-2-5-9-13-16/h16-17,19-20H,1-15H2
InChIKeyYKDVQEGCYMTXLJ-UHFFFAOYSA-N
XLogP4.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,2-diol;3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalene-1,1-diol
CID 66937614
2-cyclohexyl-1-ethylcyclohexan-1-ol
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(2R)-2-cyclohexyl-1,1-difluorocyclohexane
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2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate
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2-cyclohexyl-1-prop-2-ynylcyclohexan-1-ol
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1,2-dicyclohexyl-1-methylcyclohexane
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1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 83906776
(1,2-dicyclohexylcyclohexyl) 2-methylprop-2-enoate
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2-cyclohexyl-1-(2-methylphenyl)cyclohexan-1-ol
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(1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol
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1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol
CID 90293907
[(1S,2R)-2-cyclohexyl-1-fluorocyclopropyl]methanol
CID 134933667

Frequently Asked Questions

What is the IUPAC name of 2-cyclononylcyclononane-1,1-diol?
The IUPAC name of 2-cyclononylcyclononane-1,1-diol (CID 23113232) is 2-cyclononylcyclononane-1,1-diol.
What is the SMILES notation for 2-cyclononylcyclononane-1,1-diol?
The canonical SMILES for 2-cyclononylcyclononane-1,1-diol is OC1(O)CCCCCCCC1C1CCCCCCCC1.
What is the InChIKey of 2-cyclononylcyclononane-1,1-diol?
The InChIKey is YKDVQEGCYMTXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c19-18(20)15-11-7-3-6-10-14-17(18)16-12-8-4-1-2-5-9-13-16/h16-17,19-20H,1-15H2.
What are the key properties of 2-cyclononylcyclononane-1,1-diol?
2-cyclononylcyclononane-1,1-diol has a molecular weight of 282.47 g/mol, XLogP of 4.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclononylcyclononane-1,1-diol is sourced from PubChem (CID 23113232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).