2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene

C18H30 — CID 123139653

IUPAC2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene
SMILESCC1(C)CC2CC3CC4CCCCC4C3CC2C1
InChIInChI=1S/C18H30/c1-18(2)10-14-8-13-7-12-5-3-4-6-16(12)17(13)9-15(14)11-18/h12-17H,3-11H2,1-2H3
InChIKeySXTHDELJVZFWLP-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.28
Rot. Bonds

About 2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene

2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene (PubChem CID 123139653) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene.

Molecular Properties

Compound Name2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene
PubChem CID123139653
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene
SMILESCC1(C)CC2CC3CC4CCCCC4C3CC2C1
InChIInChI=1S/C18H30/c1-18(2)10-14-8-13-7-12-5-3-4-6-16(12)17(13)9-15(14)11-18/h12-17H,3-11H2,1-2H3
InChIKeySXTHDELJVZFWLP-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1,2,3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-hexadecahydrocyclopenta[b]fluorene
CID 123788030
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
(2S,7R)-tricyclo[6.1.1.02,7]decane
CID 15939125
2-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 71773994
4,9,9-trimethyltricyclo[5.3.1.02,6]undecane
CID 142004416
9-chloro-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;ethane
CID 143318730
tricyclo[3.3.0.02,7]octane
CID 13112141
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
tricyclo[4.4.0.02,8]decane
CID 585864
5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
CID 143329960
tetracyclo[6.3.1.02,6.010,12]dodecane
CID 146743747

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene?
The IUPAC name of 2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene (CID 123139653) is 2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene.
What is the SMILES notation for 2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene?
The canonical SMILES for 2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene is CC1(C)CC2CC3CC4CCCCC4C3CC2C1.
What is the InChIKey of 2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene?
The InChIKey is SXTHDELJVZFWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-18(2)10-14-8-13-7-12-5-3-4-6-16(12)17(13)9-15(14)11-18/h12-17H,3-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene?
2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene has a molecular weight of 246.44 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene is sourced from PubChem (CID 123139653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).