(2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol

C18H30O2 — CID 170528023

IUPAC(2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol
SMILESOC1C2C(C[C@@H]1C1CCCC1)C[C@H](C1CCCC1)C2O
InChIInChI=1S/C18H30O2/c19-17-14(11-5-1-2-6-11)9-13-10-15(18(20)16(13)17)12-7-3-4-8-12/h11-20H,1-10H2/t13?,14-,15-,16?,17?,18?/m1/s1
InChIKeyLDNSHOAUEQKRPR-SDDMPUBXSA-N
MW278.44 g/mol
LogP3.36
Rot. Bonds2

About (2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol

(2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol (PubChem CID 170528023) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol.

Molecular Properties

Compound Name(2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol
PubChem CID170528023
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol
SMILESOC1C2C(C[C@@H]1C1CCCC1)C[C@H](C1CCCC1)C2O
InChIInChI=1S/C18H30O2/c19-17-14(11-5-1-2-6-11)9-13-10-15(18(20)16(13)17)12-7-3-4-8-12/h11-20H,1-10H2/t13?,14-,15-,16?,17?,18?/m1/s1
InChIKeyLDNSHOAUEQKRPR-SDDMPUBXSA-N
XLogP3.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol with MolForge

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Related Compounds

2,5-dicyclopentylcyclopentan-1-ol
CID 12867949
2-cyclohexyl-5-cyclopentylcyclopentan-1-ol
CID 22937419
(2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 98536249
(3R,6R)-6-cyclopentyl-3-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-4,5-diol
CID 170527431
4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 141155389
(1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol
CID 131037378
2-cyclopentylcyclobutan-1-ol
CID 154017265
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol
CID 142978793
(1R,3R,6R)-tricyclo[2.2.1.02,6]heptan-3-ol
CID 6979104
(2S,3S,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diol
CID 22215815
(1R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 54106302
(1R)-2-cyclohexylcyclohexan-1-ol
CID 130125210

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol?
The IUPAC name of (2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol (CID 170528023) is (2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol.
What is the SMILES notation for (2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol?
The canonical SMILES for (2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol is OC1C2C(C[C@@H]1C1CCCC1)C[C@H](C1CCCC1)C2O.
What is the InChIKey of (2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol?
The InChIKey is LDNSHOAUEQKRPR-SDDMPUBXSA-N. The full InChI is InChI=1S/C18H30O2/c19-17-14(11-5-1-2-6-11)9-13-10-15(18(20)16(13)17)12-7-3-4-8-12/h11-20H,1-10H2/t13?,14-,15-,16?,17?,18?/m1/s1.
What are the key properties of (2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol?
(2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol has a molecular weight of 278.44 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol is sourced from PubChem (CID 170528023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).