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

C20H36O4 — CID 66937614

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,2-diol;3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalene-1,1-diol
SMILESOC1(O)CCCC2CCCCC21.OC1CCC2CCCCC2C1O
InChIInChI=1S/2C10H18O2/c11-10(12)7-3-5-8-4-1-2-6-9(8)10;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h8-9,11-12H,1-7H2;7-12H,1-6H2
InChIKeyXYDVRBBCICGJJU-UHFFFAOYSA-N
MW340.50 g/mol
LogP2.97
Rot. Bonds

About 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

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 (PubChem CID 66937614) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,2-diol;3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalene-1,1-diol
PubChem CID66937614
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,2-diol;3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalene-1,1-diol
SMILESOC1(O)CCCC2CCCCC21.OC1CCC2CCCCC2C1O
InChIInChI=1S/2C10H18O2/c11-10(12)7-3-5-8-4-1-2-6-9(8)10;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h8-9,11-12H,1-7H2;7-12H,1-6H2
InChIKeyXYDVRBBCICGJJU-UHFFFAOYSA-N
XLogP2.97
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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2,5-dicyclopentylcyclopentan-1-ol
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2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol
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2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol
CID 143022557
2-cyclopentylcyclobutan-1-ol
CID 154017265
2-cyclohexyl-5-cyclopentylcyclopentan-1-ol
CID 22937419
(1R)-2-cyclohexylcyclohexan-1-ol
CID 130125210
(1R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 54106302
2-cyclooctylcyclohexan-1-ol
CID 22359607
1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 83906776
1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 57184161

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is OC1(O)CCCC2CCCCC21.OC1CCC2CCCCC2C1O.
What is the InChIKey of 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?
The InChIKey is XYDVRBBCICGJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18O2/c11-10(12)7-3-5-8-4-1-2-6-9(8)10;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h8-9,11-12H,1-7H2;7-12H,1-6H2.
What are the key properties of 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?
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 has a molecular weight of 340.50 g/mol, XLogP of 2.97, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66937614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).