3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane

C17H32 — CID 123212061

IUPAC3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane
SMILESCCC1C(C)C2CC(C)CC(CC2C)C1(C)C
InChIInChI=1S/C17H32/c1-7-16-13(4)15-9-11(2)8-14(10-12(15)3)17(16,5)6/h11-16H,7-10H2,1-6H3
InChIKeyDKQGTZHIIAXBTA-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.38
Rot. Bonds1

About 3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane

3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane (PubChem CID 123212061) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane.

Molecular Properties

Compound Name3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane
PubChem CID123212061
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane
SMILESCCC1C(C)C2CC(C)CC(CC2C)C1(C)C
InChIInChI=1S/C17H32/c1-7-16-13(4)15-9-11(2)8-14(10-12(15)3)17(16,5)6/h11-16H,7-10H2,1-6H3
InChIKeyDKQGTZHIIAXBTA-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane
CID 159057840
2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane
CID 123750817
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020
(1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine
CID 91301916
2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane]
CID 123598108
7-ethyl-5-[7-ethyl-5-[7-ethyl-2-(7-ethyl-2-methyl-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalen-5-yl)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalen-5-yl]-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalen-2-yl]-2-methyl-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene
CID 164793601
6-ethyl-3-methylbicyclo[3.2.0]heptane
CID 147399141
ethane;2,4,6-trimethylbicyclo[3.1.1]heptane
CID 143259868
3,7,9-trimethyl-2-propylbicyclo[3.3.1]nonane
CID 123562796

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane?
The IUPAC name of 3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane (CID 123212061) is 3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane.
What is the SMILES notation for 3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane?
The canonical SMILES for 3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane is CCC1C(C)C2CC(C)CC(CC2C)C1(C)C.
What is the InChIKey of 3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane?
The InChIKey is DKQGTZHIIAXBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-7-16-13(4)15-9-11(2)8-14(10-12(15)3)17(16,5)6/h11-16H,7-10H2,1-6H3.
What are the key properties of 3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane?
3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane has a molecular weight of 236.44 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane is sourced from PubChem (CID 123212061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).