2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol

C13H22O — CID 142978793

IUPAC2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol
SMILESOC1CCC2CCC3CCCCC3C12
InChIInChI=1S/C13H22O/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)12/h9-14H,1-8H2
InChIKeyYWORUZRCRBRCNB-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.97
Rot. Bonds

About 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol

2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol (PubChem CID 142978793) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol.

Molecular Properties

Compound Name2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol
PubChem CID142978793
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol
SMILESOC1CCC2CCC3CCCCC3C12
InChIInChI=1S/C13H22O/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)12/h9-14H,1-8H2
InChIKeyYWORUZRCRBRCNB-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
(1S,2S,3R,6S,7S)-tricyclo[5.2.1.02,6]decan-3-ol
CID 98561743
3-cyclopentyltricyclo[4.3.0.02,9]nonane
CID 163578521
(1R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 54106302
(1R)-2-cyclohexylcyclohexan-1-ol
CID 130125210
2-cyclooctylcyclohexan-1-ol
CID 22359607
1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 68614086
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol
CID 141104109
4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol
CID 143426222
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
CID 140658819

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol?
The IUPAC name of 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol (CID 142978793) is 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol.
What is the SMILES notation for 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol?
The canonical SMILES for 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol is OC1CCC2CCC3CCCCC3C12.
What is the InChIKey of 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol?
The InChIKey is YWORUZRCRBRCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)12/h9-14H,1-8H2.
What are the key properties of 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol?
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol has a molecular weight of 194.32 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol is sourced from PubChem (CID 142978793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).