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

C15H26 — CID 91006589

IUPAC2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
SMILESCCC1CC2CCC3CCCCC3C2C1
InChIInChI=1S/C15H26/c1-2-11-9-13-8-7-12-5-3-4-6-14(12)15(13)10-11/h11-15H,2-10H2,1H3
InChIKeyYFJNOWDURULRHU-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.64
Rot. Bonds1

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

2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene (PubChem CID 91006589) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
PubChem CID91006589
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
SMILESCCC1CC2CCC3CCCCC3C2C1
InChIInChI=1S/C15H26/c1-2-11-9-13-8-7-12-5-3-4-6-14(12)15(13)10-11/h11-15H,2-10H2,1H3
InChIKeyYFJNOWDURULRHU-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123813009
2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane
CID 148989038
(3-ethylcyclopentyl)cyclohexane
CID 142208206
(2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 54058077
3-ethyl-9-iodobicyclo[3.3.1]nonane
CID 134444057
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
1-(3-ethylcyclobutyl)-2-methylcyclopentane
CID 143653431
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-fluorene
CID 21972
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 172615234
4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine
CID 81014827

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene?
The IUPAC name of 2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene (CID 91006589) is 2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene is CCC1CC2CCC3CCCCC3C2C1.
What is the InChIKey of 2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene?
The InChIKey is YFJNOWDURULRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-2-11-9-13-8-7-12-5-3-4-6-14(12)15(13)10-11/h11-15H,2-10H2,1H3.
What are the key properties of 2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene?
2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene has a molecular weight of 206.37 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 91006589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).