4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane

C21H38 — CID 91442066

IUPAC4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane
SMILESCCCC1C(C(C)C)CCC2CCC3C(CC)C3C(C)C21
InChIInChI=1S/C21H38/c1-6-8-18-17(13(3)4)11-9-15-10-12-19-16(7-2)21(19)14(5)20(15)18/h13-21H,6-12H2,1-5H3
InChIKeyLAYAKSSYWOMKLB-UHFFFAOYSA-N
MW290.53 g/mol
LogP6.40
Rot. Bonds4

About 4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane

4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane (PubChem CID 91442066) has the molecular formula C21H38 and a molecular weight of 290.53 g/mol. Its IUPAC name is 4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane.

Molecular Properties

Compound Name4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane
PubChem CID91442066
Molecular FormulaC21H38
Molecular Weight290.53 g/mol
Exact Mass290.30
IUPAC Name4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane
SMILESCCCC1C(C(C)C)CCC2CCC3C(CC)C3C(C)C21
InChIInChI=1S/C21H38/c1-6-8-18-17(13(3)4)11-9-15-10-12-19-16(7-2)21(19)14(5)20(15)18/h13-21H,6-12H2,1-5H3
InChIKeyLAYAKSSYWOMKLB-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.53
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-propan-2-yl-2-propylcyclopentane
CID 123480438
1-ethyl-3-propan-2-yl-2-propylcyclopentane
CID 143346361
(2R,7S)-2-propan-2-yl-7-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
CID 170527496
(1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane
CID 58708477
1,2-diethyl-3-propan-2-ylcyclopentane
CID 123700425
3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane
CID 123860685
(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane
CID 58729228
2-ethyltricyclo[3.2.1.03,8]octane
CID 123682557
5-ethyl-6-methylbicyclo[2.1.1]hexane
CID 123324829
(1R,2R,3S,4S)-2-[2-[(1S,2S,3R,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[2-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 59960440
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142470319

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane?
The IUPAC name of 4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane (CID 91442066) is 4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane.
What is the SMILES notation for 4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane?
The canonical SMILES for 4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane is CCCC1C(C(C)C)CCC2CCC3C(CC)C3C(C)C21.
What is the InChIKey of 4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane?
The InChIKey is LAYAKSSYWOMKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-6-8-18-17(13(3)4)11-9-15-10-12-19-16(7-2)21(19)14(5)20(15)18/h13-21H,6-12H2,1-5H3.
What are the key properties of 4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane?
4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane has a molecular weight of 290.53 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane is sourced from PubChem (CID 91442066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).