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

C13H22O — CID 143022557

IUPAC2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol
SMILESOC1CCC2C1CCC1CCCCC12
InChIInChI=1S/C13H22O/c14-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)13/h9-14H,1-8H2
InChIKeyNZNDKKVPGGHKEK-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-3-ol

2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol (PubChem CID 143022557) 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-3-ol.

Molecular Properties

Compound Name2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol
PubChem CID143022557
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-3-ol
SMILESOC1CCC2C1CCC1CCCCC12
InChIInChI=1S/C13H22O/c14-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)13/h9-14H,1-8H2
InChIKeyNZNDKKVPGGHKEK-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

1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol
CID 141104109
2-cyclopentylcyclobutan-1-ol
CID 154017265
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
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
(2-cyclopropylcyclobutyl)cyclopentane
CID 54374966
(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
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol
CID 142978793
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-ol
CID 71775317
(14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol
CID 156740925

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-3-ol?
The IUPAC name of 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol (CID 143022557) is 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol.
What is the SMILES notation for 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol?
The canonical SMILES for 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol is OC1CCC2C1CCC1CCCCC12.
What is the InChIKey of 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol?
The InChIKey is NZNDKKVPGGHKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c14-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)13/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-3-ol?
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-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-3-ol is sourced from PubChem (CID 143022557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).